Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.43 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11197344 | 0.88 | CYP2D6 (0.50) | MAPTNPC1RAB9AALDH1A1HPGD | |
| SCHEMBL11196213 | 0.88 | CYP2D6 (0.48) | MAPTNPC1RAB9AALDH1A1GAA | |
| SCHEMBL11206315 | 0.86 | CYP2D6 (0.48) | NPC1RAB9AALDH1A1HPGDKDM4E | |
| SCHEMBL11191574 | 0.85 | RARB (0.47) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL11198402 | 0.85 | RARB (0.47) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL11196341 | 0.85 | RARB (0.47) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL11201618 | 0.85 | RARB (0.47) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL11198301 | 0.85 | RARB (0.47) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL11196841 | 0.84 | HTR2A (0.46) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL18721891 | 0.84 | CACNA2D1 (0.40) | CACNA2D1MAPTNPC1RAB9AMEN1 |
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 |