Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.65 |
| ▸ | NPC1 | O15118 | 5/20 | 0.61 |
| ▸ | RAB9A | P51151 | 5/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.61 |
| ▸ | MEN1 | O00255 | 4/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.61 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.61 |
| ▸ | RELA | Q04206 | 3/20 | 0.61 |
| ▸ | GFER | P55789 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.57 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.55 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2165438 | 1.00 | ALDH1A1 (0.65) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL2165442 | 1.00 | ALDH1A1 (0.65) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL4940997 | 0.86 | GAA (0.64) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL4941002 | 0.86 | GAA (0.64) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL28969963 | 0.86 | NPC1 (0.64) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL2448826 | 0.85 | ALDH1A1 (0.54) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL4692392 | 0.85 | ALDH1A1 (0.54) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL16221476 | 0.85 | ALDH1A1 (0.54) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL5075035 | 0.85 | ALDH1A1 (0.62) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL7990948 | 0.85 | ALDH1A1 (0.62) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111302970-B | Preparation method of 3, 4-dimethoxy benzonitrile | 河南农业大学 | 2021-04-27 | — | — | CN | disclosed |
| CN-111302970-A | Preparation method of 3, 4-dimethoxy benzonitrile | 河南农业大学 | 2020-06-19 | — | — | CN | disclosed |
| US-10174033-B2 | N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof | INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2019-01-08 | — | — | US | disclosed |
| US-20130045942-A1 | N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF | INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2013-02-21 | — | — | US | disclosed |
| EP-2511283-A1 | N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF | INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2012-10-17 | — | — | EP | disclosed |
| US-20110021473-A1 | INHIBITORS OF PHOSPHODIESTERASE TYPE-IV | RANBAXY LABORATORIES LIMITED | 2011-01-27 | — | — | US | disclosed |
| US-7612069-B2 | Acyl guanidines as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-11-03 | — | — | US | disclosed |
| US-7273882-B2 | Aminoacetamide acyl guanidines as β-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-25 | — | — | US | disclosed |
| US-20070015754-A1 | Acyl guanidines as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-01-18 | — | — | US | disclosed |
| WO-2007002214-A2 | ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-04 | — | — | WO | disclosed |
| WO-2007002220-A2 | AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-04 | — | — | WO | disclosed |
| US-20060287287-A1 | Aminoacetamide acyl guanidines as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2006-12-21 | — | — | US | disclosed |
| US-6673800-B2 | PREPARATION METHOD THROUGH REDUCTIVE AMINATION REACTION IN THE PRESENCE OF REDUCING AGENT. | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2004-01-06 | — | — | US | disclosed |
| US-20020107253-A1 | Novel 4,5,-dihydroisoxazolylalkylpiperazine derivatives having selective biological activity at dopamine D3 or D4 receptor, and preparation thereof | KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2002-08-08 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020107253-A1 | Novel 4,5,-dihydroisoxazolylalkylpiperazine derivatives having selective biological activity at dopamine D3 or D4 receptor, and preparation thereof | DRD4, DRD3, DRD2 | ALDH1A1 429/4885NPC1 4430/4885RAB9A 1625/4885 |
| US-20060287287-A1 | Aminoacetamide acyl guanidines as beta-secretase inhibitors | APP, BACE1, BACE2 | ALDH1A1 2529/4885NPC1 1374/4885RAB9A 1220/4885 |
| US-20110021473-A1 | INHIBITORS OF PHOSPHODIESTERASE TYPE-IV | PDE4A, PDE4B, PDE4C | ALDH1A1 306/4885NPC1 4088/4885RAB9A 322/4885 |
| US-20070015754-A1 | Acyl guanidines as beta-secretase inhibitors | BACE1, APP, BACE2 | ALDH1A1 2144/4885NPC1 531/4885RAB9A 558/4885 |
| US-10174033-B2 | N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof | ADORA2A, ADORA3, ADORA1 | ALDH1A1 1674/4885NPC1 695/4885RAB9A 846/4885 |
| US-20130045942-A1 | N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF | ADORA2A, ADORA3, ADORA1 | ALDH1A1 1674/4885NPC1 695/4885RAB9A 846/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.