Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 9/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 9/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 8/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | VCP | P55072 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4898909 | 0.77 | GAA (0.38) | ALDH1A1GAAKDM4EMAPTRXFP1 | |
| SCHEMBL4898879 | 0.68 | HPGD (0.36) | ALDH1A1GAAKDM4EMAPTRXFP1 | |
| SCHEMBL4424885 | 0.67 | NQO2 (0.57) | ALDH1A1GAAKDM4EMAPTRXFP1 | |
| SCHEMBL370588 | 0.63 | KEAP1 (0.50) | ALDH1A1GAAKDM4EMAPTRXFP1 | |
| SCHEMBL16892344 | 0.63 | NQO2 (0.53) | ALDH1A1GAAKDM4EMAPTRXFP1 | |
| SCHEMBL11395852 | 0.63 | CYP1A2 (0.39) | ALDH1A1GAAMAPTRXFP1NQO2 | |
| SCHEMBL24038450 | 0.62 | KEAP1 (0.45) | ALDH1A1GAAKDM4EMAPTRXFP1 | |
| SCHEMBL4898904 | 0.61 | CYP1A2 (0.37) | GAARXFP1NQO2LMNACYP1A2 | |
| SCHEMBL25669088 | 0.60 | ALDH1A1 (0.42) | ALDH1A1GAAKDM4EMAPTRXFP1 | |
| SCHEMBL4891430 | 0.60 | ALDH1A1 (0.55) | ALDH1A1MAPTLMNAMEN1TP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130331395-A1 | BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS | JANSSEN PHARMACEUTICA NV (BE) | 2013-12-12 | — | — | US | disclosed |
| US-8530475-B2 | Serotonin reuptake inhibitors and antagonists of the serotonin 1A receptor; compounds are based on 7,9-diazabicyclo(4.2.2)dec-3-ene ring | JANSSEN PHARMACEUTICA NV | 2013-09-10 | — | — | US | disclosed |
| US-20080070919-A1 | BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS | CREIGHTON CHRISTOPHER J | 2008-03-20 | — | — | 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 (2 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-20080070919-A1 | BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS | HTR1A, HTR5A, TPH1 | ALDH1A1 66/4885GAA 1552/4885KDM4E 2645/4885 |
| US-20130331395-A1 | BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS | HTR1A, HTR5A, TPH1 | ALDH1A1 66/4885GAA 1552/4885KDM4E 2645/4885 |
“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.