Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 12/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HCK | P08631 | 1/20 | 0.35 |
| ▸ | FGR | P09769 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.35 |
| ▸ | FLT4 | P35916 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.35 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.35 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24638795 | 0.83 | RET (0.45) | RETNPC1RAB9ATSHRCYP1A2 | |
| SCHEMBL20952090 | 0.79 | RET (0.41) | RETNPC1RAB9ATSHRS1PR3 | |
| SCHEMBL17301340 | 0.73 | RAB9A (0.50) | RETNPC1RAB9ATSHR | |
| SCHEMBL11836452 | 0.71 | NPC1 (0.45) | RETNPC1RAB9ACYP1A2HCK | |
| SCHEMBL28326020 | 0.71 | NPC1 (0.45) | RETNPC1RAB9ATSHRSMYD3 | |
| SCHEMBL3154169 | 0.71 | — | — | |
| SCHEMBL30438396 | 0.70 | RET (0.36) | RETNPC1RAB9ATSHRSMYD3 | |
| SCHEMBL21530427 | 0.70 | RET (0.43) | RETNPC1RAB9ATSHR | |
| SCHEMBL30845491 | 0.70 | RET (0.43) | RETNPC1RAB9ATSHR | |
| SCHEMBL11783495 | 0.69 | RAB9A (0.54) | RETNPC1RAB9ASMYD3CYP1A2 |
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-3704114-B1 | SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2022-11-23 | — | — | EP | disclosed |