Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL7972359 | 1.00 | ALDH1A1 (0.35) | ALDH1A1CYP3A4LMNAMAPK1CYP1A2 | |
| SCHEMBL7969659 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C19TP53SMN1; SMN2 | |
| SCHEMBL7007267 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C19TP53SMN1; SMN2 | |
| SCHEMBL9532175 | 0.81 | SMN1; SMN2 (0.37) | ALDH1A1CYP3A4LMNACYP1A2CYP2C9 | |
| SCHEMBL9532178 | 0.81 | SMN1; SMN2 (0.37) | ALDH1A1CYP3A4LMNACYP1A2CYP2C9 | |
| SCHEMBL7969153 | 0.73 | KDM4E (0.40) | ALDH1A1LMNASMN1; SMN2L3MBTL1GLA | |
| SCHEMBL7969155 | 0.73 | KDM4E (0.40) | ALDH1A1LMNASMN1; SMN2L3MBTL1GLA | |
| SCHEMBL9212489 | 0.67 | LMNA (0.40) | ALDH1A1CYP3A4LMNAMAPK1CYP1A2 | |
| SCHEMBL9220145 | 0.67 | POLB (0.64) | ALDH1A1CYP3A4LMNACYP1A2CYP2C9 | |
| Isopropyl Isonicotinate SCHEMBL552612 | 0.67 | CA12 (0.62) | ALDH1A1LMNAMAPK1CYP1A2CYP2C9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6303641-B1 | FOR THERAPY AND PROPHYLAXIS OF DISEASES CHARACTERIZED BY ABNORMAL CELL DIFFERENTIATION AND/OR CELL PROLIFERATION SUCH AS PSORIASIS AND CANCER | LEO PHARMACEUTICALS PRODUCTS LTD. (DK) | 2001-10-16 | — | — | US | disclosed |
| EP-0388528-B1 | Carboximidamide derivatives | KIRIN BREWERY (JP) | 1995-09-27 | — | — | EP | disclosed |
| US-5272164-A | Carboximidamide derivatives | KIRIN BEER KABUSHIKI KAISHA (JP) | 1993-12-21 | — | — | US | disclosed |
| US-5223508-A | Hypotensive agents, vasodilators | KIRIN BEER KABUSHIKI KAISHA (JP) | 1993-06-29 | — | — | US | disclosed |
| US-5166347-A | Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants | KIRIN BEER KABUSHIKI KAISHA (JP) | 1992-11-24 | — | — | US | disclosed |
| EP-0388528-A2 | Carboximidamide derivatives | KIRIN BEER KABUSHIKI KAISHA (JP) | 1990-09-26 | — | — | EP | disclosed |