Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10514524 | 0.87 | CYP2D6 (0.32) | CYP2C9CYP2D6TSHR | |
| SCHEMBL9550794 | 0.80 | HPN (0.41) | CYP2C9CYP2D6TP53KDM4EMAPT | |
| SCHEMBL9550788 | 0.78 | NPC1 (0.36) | TSHRLMNASMN1; SMN2HPGDOPRM1 | |
| SCHEMBL9550786 | 0.73 | HSD17B10 (0.36) | CYP2C9TSHRSMN1; SMN2CYP2C19HIF1A | |
| SCHEMBL9550781 | 0.71 | THRB (0.35) | CYP2C9TSHRSMN1; SMN2CYP2C19HIF1A | |
| SCHEMBL11574684 | 0.66 | CYP2C9 (0.48) | CYP2C9CYP2D6TSHRKDM4ELMNA | |
| SCHEMBL14463100 | 0.66 | TP53 (0.64) | TSHRTP53KDM4EGMNNLMNA | |
| SCHEMBL5185757 | 0.66 | TP53 (0.64) | TSHRTP53KDM4EGMNNLMNA | |
| SCHEMBL6227823 | 0.66 | TP53 (0.64) | TSHRTP53KDM4EGMNNLMNA | |
| SCHEMBL9550811 | 0.64 | CA2 (0.41) | CYP2C9TSHRKDM4ELMNAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5229421-A | Antiallergens, antiinflammatory agents | G. D. SEARLE & CO. (US) | 1993-07-20 | — | — | US | disclosed |
| US-5208262-A | Administering 4-hydroxythiophenol derivatives | G. D. SEARLE & CO. (US) | 1993-05-04 | — | — | US | disclosed |
| US-5047593-A | Antiinflammatory And Antiallergy Agents | G. D. SEARLE & CO. (US) | 1991-09-10 | — | — | US | disclosed |
| EP-0218782-B1 | LIPOXYGENASE-INHIBITING COMPOSITION AND HYDROXYPHENYLTHIOALKYLCARBONYL COMPOUNDS | G.D. Searle & Co. (US) | 1990-05-16 | — | — | EP | disclosed |