Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | RAF1 | P04049 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 6/20 | 0.40 |
| ▸ | ARAF | P10398 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL3258557 | 0.85 | MAPK1 (0.51) | S1PR1NPC1HPGDRAB9AKMT2A | |
| SCHEMBL3260301 | 0.76 | S1PR1 (0.49) | S1PR1MEN1KMT2ACYP2C9RET | |
| SCHEMBL3257407 | 0.75 | S1PR1 (0.50) | S1PR1MEN1KMT2ARAF1CYP2C9 | |
| SCHEMBL3257536 | 0.75 | S1PR1 (0.49) | S1PR1MEN1KMT2ACYP2C9RET | |
| SCHEMBL3258245 | 0.74 | S1PR1 (0.49) | S1PR1MEN1NPC1TP53HPGD | |
| SCHEMBL3258918 | 0.74 | S1PR1 (0.50) | S1PR1NPC1TP53TSHRRAB9A | |
| SCHEMBL3141975 | 0.73 | HIF1A (0.54) | S1PR1NPC1HPGDRAB9AKMT2A | |
| SCHEMBL4518245 | 0.72 | S1PR1 (0.50) | S1PR1MEN1NPC1TP53TSHR | |
| SCHEMBL2866482 | 0.72 | S1PR1 (0.51) | S1PR1MEN1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL2867506 | 0.70 | S1PR1 (0.44) | S1PR1NPC1RAB9AKMT2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1747196-B1 | SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION | ACHILLION PHARMACEUTICALS INC (US) | 2010-02-10 | — | — | EP | claimed |