Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL2706813 | 0.76 | ALDH1A1 (0.45) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL2782121 | 0.72 | ALDH1A1 (0.38) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL6898351 | 0.71 | KDM4E (0.48) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL3967529 | 0.71 | MEN1 (0.41) | ALDH1A1TSHR | |
| Water SCHEMBL6780206 | 0.70 | ALDH1A1 (0.38) | ALDH1A1TSHR | |
| SCHEMBL7938688 | 0.70 | — | — | |
| SCHEMBL29233028 | 0.70 | ALDH1A1 (0.37) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL9538499 | 0.70 | HMGCR (0.61) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL59821 | 0.69 | — | — | |
| SCHEMBL1868224 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0709373-B1 | PYRROLIDINE DERIVATIVE | ZAIDAN HOJIN BISEIBUTSU (JP) | 2001-10-17 | — | — | EP | disclosed |
| US-5965556-A | KETO-ACID AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND METHODS FOR INHIBITING THE ACTIVITY OF SERINE PROTEASE OR THIOL PROTEASE BY ADMINISTERING THE DERIVATIVE TO A MAMMAL; ALZHEIMER'S DISEASE | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) | 1999-10-12 | — | — | US | disclosed |
| US-5756763-A | ENZYME INHIBITOR | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) | 1998-05-26 | — | — | US | disclosed |
| EP-0709373-A1 | NOVEL PYRROLIDINE DERIVATIVE | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1996-05-01 | — | — | EP | disclosed |
| US-5424333-A | Anthelmintic N'-substituted-N,N'-disubstitutedhydrazines | ROHM AND HAAS COMPANY (US) | 1995-06-13 | — | — | US | disclosed |
| EP-0361645-B1 | ORGANIC HYDRAZINE DERIVATIVES FOR PHARMACEUTICAL USE | ROHM AND HAAS COMPANY (US) | 1993-09-29 | — | — | EP | disclosed |
| EP-0361645-A2 | Organic hydrazine derivatives for pharmaceutical use | ROHM AND HAAS COMPANY (US) | 1990-04-04 | — | — | EP | disclosed |