Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11191574 | 1.00 | RARB (0.47) | RARBCYP2D6CYP3A4KDM4EALDH1A1 | |
| SCHEMBL11198301 | 1.00 | RARB (0.47) | RARBCYP2D6CYP3A4KDM4EALDH1A1 | |
| SCHEMBL11198402 | 1.00 | RARB (0.47) | RARBCYP2D6CYP3A4KDM4EALDH1A1 | |
| SCHEMBL11196341 | 1.00 | RARB (0.47) | RARBCYP2D6CYP3A4KDM4EALDH1A1 | |
| SCHEMBL11206315 | 0.99 | CYP2D6 (0.48) | RARBCYP2D6CYP3A4KDM4EALDH1A1 | |
| SCHEMBL11197344 | 0.96 | CYP2D6 (0.50) | RARBCYP2D6CYP3A4KDM4EALDH1A1 | |
| SCHEMBL11196213 | 0.91 | CYP2D6 (0.48) | CYP2D6CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL8451859 | 0.85 | NPC1 (0.51) | RARBCYP2D6CYP3A4KDM4EALDH1A1 | |
| SCHEMBL8454933 | 0.85 | NPC1 (0.51) | RARBCYP2D6CYP3A4KDM4EALDH1A1 | |
| SCHEMBL11198232 | 0.85 | CACNA2D1 (0.43) | KDM4EALDH1A1HPGDNPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4389329-A | Meterocyclic compounds | HOFFMANN-LA ROCHE INC. (US) | 1983-06-21 | — | — | US | disclosed |
| US-4273929-A | Heterocyclic compounds | HOFFMANN-LA ROCHE INC. (US) | 1981-06-16 | — | — | US | disclosed |