Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.56 |
| ▸ | NPC1 | O15118 | 6/20 | 0.56 |
| ▸ | RAB9A | P51151 | 6/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | HPN | P05981 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9510252 | 0.91 | ALDH1A1 (0.46) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL9510629 | 0.90 | ALDH1A1 (0.45) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL9814007 | 0.88 | SMN1; SMN2 (0.60) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL9707160 | 0.88 | ALDH1A1 (0.53) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL9493123 | 0.81 | MAOB (0.52) | ALDH1A1SMN1; SMN2NPC1RAB9ATDP1 | |
| SCHEMBL9162267 | 0.81 | MEN1 (0.42) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL9510294 | 0.81 | MAOB (0.51) | ALDH1A1SMN1; SMN2NPC1RAB9ATDP1 | |
| SCHEMBL9707178 | 0.79 | RAB9A (0.63) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL9707098 | 0.78 | ACE (0.43) | CYP2C19LMNA | |
| SCHEMBL8309788 | 0.78 | VCAM1 (0.55) | ALDH1A1SMN1; SMN2TDP1LMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0190685-B1 | HETEROCYCLIC AMIDES | G.D. Searle & Co. (US) | 1992-07-01 | — | — | EP | claimed |
| US-4959364-A | Method of treating inflammation, allergy, asthma and proliferative skin disease using heterocyclic amides | G. D. SEARLE & CO. (US) | 1990-09-25 | — | — | US | claimed |
| EP-0190685-A2 | Heterocyclic amides | G.D. Searle & Co. (US) | 1986-08-13 | — | — | EP | claimed |