Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2021453 | 0.89 | RAB9A (0.49) | NPC1RAB9ASMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL2020106 | 0.89 | RAB9A (0.48) | NPC1RAB9ASMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL2020405 | 0.88 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL2015858 | 0.88 | RAB9A (0.48) | NPC1RAB9ASMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL2020602 | 0.88 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL2016725 | 0.85 | S1PR1 (0.46) | NPC1RAB9ASMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL2019229 | 0.85 | KDM4E (0.47) | NPC1RAB9ASMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL2015078 | 0.85 | HTR2A (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL2019393 | 0.85 | HTR2A (0.43) | NPC1RAB9ASMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL2018141 | 0.85 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2TSHRALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8563567-B2 | Substituted heterocyclic compounds | ARQULE, INC. (US) | 2013-10-22 | — | — | US | disclosed |
| US-8563567-B2 | Substituted heterocyclic compounds | ARQULE, INC. (US) | 2013-10-22 | — | — | US | disclosed |
| US-8563567-B2 | Substituted heterocyclic compounds | ARQULE, INC. (US) | 2013-10-22 | — | — | US | disclosed |
| WO-2011082266-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | ARQULE, INC. (US) | 2011-07-07 | — | — | WO | disclosed |
| US-20110160237-A1 | Substituted Heterocyclic Compounds | ARQULE, INC. (US) | 2011-06-30 | — | — | US | disclosed |
| US-20110160237-A1 | Substituted Heterocyclic Compounds | ARQULE, INC. (US) | 2011-06-30 | — | — | US | disclosed |
| US-20110160237-A1 | Substituted Heterocyclic Compounds | ARQULE, INC. (US) | 2011-06-30 | — | — | 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 (1 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-20110160237-A1 | Substituted Heterocyclic Compounds | MKI67, CCNC, NQO1 | NPC1 235/4885RAB9A 1649/4885SMN1; SMN2 1983/4885 |
“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.