Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR17 | Q13304 | 4/20 | 0.54 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | FBP1 | P09467 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5723705 | 0.84 | CYP1A2 (0.50) | GPR17AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL11505512 | 0.82 | HSD17B10 (0.62) | AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10 | |
| SCHEMBL10876715 | 0.81 | AKR1C4 (0.52) | AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10 | |
| SCHEMBL7195008 | 0.80 | GRM5 (0.49) | HSD17B10ALDH1A1HSP90AA1NPSR1HPGD | |
| SCHEMBL7346626 | 0.80 | GPR17 (0.53) | GPR17FBP1ALDH1A1NPSR1HPGD | |
| SCHEMBL1590066 | 0.76 | GPR17 (0.57) | GPR17AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL2974181 | 0.76 | CYP1A2 (0.59) | AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10 | |
| SCHEMBL23124875 | 0.76 | GPR17 (0.49) | GPR17FBP1NPSR1PLAUFFAR1 | |
| SCHEMBL586345 | 0.76 | PDPK1 (0.59) | GPR17ALDH1A1HPGDFFAR1 | |
| SCHEMBL1418003 | 0.76 | HIF1A (0.59) | GPR17HSD17B10CYP3A4HSP90AA1NPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0850221-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1998-07-01 | — | — | EP | claimed |
| WO-1997008145-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1997-03-06 | — | — | WO | claimed |