Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9818818 | 0.98 | SMN1; SMN2 (0.40) | SMN1; SMN2NPC1RAB9ATP53KMT2A | |
| SCHEMBL9818784 | 0.84 | ALDH1A1 (0.39) | SMN1; SMN2NPC1RAB9ATP53KMT2A | |
| Tetrylammonium SCHEMBL9818939 | 0.81 | ALDH1A1 (0.37) | SMN1; SMN2NPC1RAB9ATP53KMT2A | |
| SCHEMBL9818848 | 0.76 | NPC1 (0.33) | SMN1; SMN2NPC1RAB9AALDH1A1HTT | |
| SCHEMBL10589676 | 0.75 | CCNE2 (0.33) | KMT2AUSP2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9818774 | 0.73 | — | — | |
| SCHEMBL9818934 | 0.71 | — | — | |
| SCHEMBL8542753 | 0.70 | — | — | |
| SCHEMBL9343478 | 0.69 | L3MBTL1 (0.32) | POLB | |
| SCHEMBL8543320 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0213718-B1 | 1-DIMETHYLCARBAMOYL-3-SUBSTITUTED-5-SUBSTITUTED-1H-1,2,4-TRIAZOLES | ROHM AND HAAS COMPANY (US) | 1991-06-12 | — | — | EP | disclosed |