Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3524137 | 1.00 | NAPRT (0.55) | NAPRTCYP1A2CYP3A4CYP2C9RECQL | |
| SCHEMBL3524143 | 1.00 | NAPRT (0.55) | NAPRTCYP1A2CYP3A4CYP2C9RECQL | |
| SCHEMBL7998532 | 0.82 | CHRNA7 (0.55) | RECQLCHRNA7ESR1CYP19A1CYP2A6 | |
| SCHEMBL10744051 | 0.78 | NAPRT (0.55) | NAPRTCYP1A2CYP3A4CYP2C9CHRNA7 | |
| SCHEMBL10744042 | 0.78 | NAPRT (0.55) | NAPRTCYP1A2CYP3A4CYP2C9CHRNA7 | |
| SCHEMBL1442885 | 0.77 | NAPRT (0.58) | NAPRTCYP1A2CYP3A4CYP2C9RECQL | |
| SCHEMBL5902378 | 0.77 | NAPRT (0.58) | NAPRTCYP1A2CYP3A4CYP2C9RECQL | |
| SCHEMBL30940201 | 0.77 | NAPRT (0.58) | NAPRTCYP1A2CYP3A4CYP2C9RECQL | |
| SCHEMBL29701327 | 0.77 | NAPRT (0.69) | NAPRTCYP1A2CYP3A4CYP2C9RECQL | |
| SCHEMBL794394 | 0.77 | NAPRT (0.69) | NAPRTCYP1A2CYP3A4CYP2C9RECQL |
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 |
|---|---|---|---|---|---|---|---|
| US-7217714-B1 | CCR5 modulators | AGOURON PHARMACEUTICALS, INC. (US) | 2007-05-15 | — | — | US | disclosed |