Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 12/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | STAT1 | P42224 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HCK | P08631 | 1/20 | 0.38 |
| ▸ | FGR | P09769 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | FLT4 | P35916 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17301340 | 0.89 | RAB9A (0.50) | RETRAB9ANPC1STAT1TSHR | |
| SCHEMBL24638845 | 0.83 | RET (0.42) | RETRAB9ANPC1TSHRCYP1A2 | |
| SCHEMBL30605714 | 0.79 | NPC1 (0.43) | RETRAB9ANPC1STAT1TSHR | |
| SCHEMBL19900076 | 0.79 | STAT1 (0.50) | RETRAB9ANPC1STAT1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL30605727 | 0.78 | NPC1 (0.42) | RETRAB9ANPC1STAT1TSHR | |
| Hydrochloric Acid SCHEMBL30437434 | 0.78 | STAT1 (0.49) | RETRAB9ANPC1STAT1ALDH1A1 | |
| Iodide SCHEMBL29388459 | 0.78 | STAT1 (0.49) | RETRAB9ANPC1STAT1ALDH1A1 | |
| SCHEMBL11841656 | 0.77 | CCR1 (0.52) | RETRAB9ANPC1STAT1TSHR | |
| SCHEMBL21876438 | 0.73 | NPC1 (0.51) | RETRAB9ANPC1TSHRALDH1A1 | |
| SCHEMBL28326023 | 0.73 | ADORA2A (0.39) | RETRAB9ANPC1 |
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 |