Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | MME | P08473 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9544105 | 0.81 | NPC1 (0.44) | NPC1RAB9AALDH1A1KDM4ELMNA | |
| SCHEMBL5544627 | 0.80 | NPC1 (0.53) | NPC1RAB9AALDH1A1LMNACYP1A2 | |
| SCHEMBL3364896 | 0.79 | ATM (0.57) | RAB9AALDH1A1LMNAATMHSD17B10 | |
| SCHEMBL3161568 | 0.77 | CYP1A2 (0.43) | NPC1RAB9AALDH1A1KDM4ELMNA | |
| SCHEMBL6162382 | 0.75 | SLC7A5 (0.53) | CYP1A2SLC7A5PPARACYP2C9CYP2C19 | |
| SCHEMBL7635307 | 0.75 | SLC7A5 (0.53) | CYP1A2SLC7A5PPARACYP2C9CYP2C19 | |
| SCHEMBL21243266 | 0.75 | SIGMAR1 (0.47) | NPC1RAB9ASIGMAR1 | |
| SCHEMBL2986727 | 0.75 | CA1 (0.57) | NPC1RAB9APPARGTSHRSIGMAR1 | |
| SCHEMBL13867607 | 0.74 | OPRM1 (0.48) | NPC1RAB9AATMCTRB1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL11202440 | 0.74 | SLC7A5 (0.51) | CYP1A2SLC7A5PPARACYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993020099-A2 | CCK AND/OR GASTRIN RECEPTOR LIGANDS | FERRING B.V. (NL) | 1993-10-14 | — | — | WO | disclosed |