Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9729510 | 0.89 | NAPRT (0.37) | NAPRTCYP1A2CYP3A4CYP2C9CYP19A1 | |
| SCHEMBL9730061 | 0.76 | NAPRT (0.47) | NAPRTCYP1A2CYP3A4CYP2C9CYP19A1 | |
| SCHEMBL9730033 | 0.70 | CYP11B2 (0.41) | CYP3A4CYP19A1ALDH1A1 | |
| SCHEMBL9729478 | 0.69 | NPSR1 (0.43) | NAPRTCYP1A2CYP3A4CYP2C9LMNA | |
| SCHEMBL9729153 | 0.68 | IDO1 (0.39) | CYP19A1ALDH1A1P2RX7POLB | |
| SCHEMBL9729497 | 0.65 | RAB9A (0.42) | LMNAALDH1A1POLB | |
| SCHEMBL9723814 | 0.63 | RAB9A (0.44) | LMNAALDH1A1TDP1P2RX7POLB | |
| SCHEMBL9729507 | 0.63 | IDO1 (0.42) | NAPRTCYP3A4ALDH1A1KDM4E | |
| SCHEMBL9729502 | 0.63 | IDO1 (0.42) | NAPRTCYP3A4ALDH1A1KDM4E | |
| SCHEMBL9729571 | 0.63 | IDO1 (0.42) | NAPRTCYP3A4ALDH1A1KDM4E |
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-5171354-A | Herbicides | CIBA-GEIGY CORPORATION (US) | 1992-12-15 | — | — | US | disclosed |
| EP-0445069-A1 | Heterocyclic compounds | CIBA-GEIGY AG (CH) | 1991-09-04 | — | — | EP | disclosed |