Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.37 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.32 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MYC | P01106 | 1/20 | 0.31 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7415367 | 0.76 | DRD2 (0.36) | HSD17B10KDM4EALDH1A1HPGDKMT2A | |
| SCHEMBL7425526 | 0.72 | AKR1C3 (0.41) | AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10 | |
| SCHEMBL7418018 | 0.65 | PNMT (0.38) | PDK1PDK2PDK3PDK4SRD5A1 | |
| SCHEMBL19510985 | 0.65 | ERN1 (0.32) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL8111068 | 0.64 | ALDH1A1 (0.45) | HSD17B10PDK1PDK2PDK3PDK4 | |
| SCHEMBL30995642 | 0.63 | AKR1C3 (0.44) | AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10 | |
| SCHEMBL11732758 | 0.63 | AKR1C3 (0.44) | AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10 | |
| SCHEMBL19123318 | 0.63 | AKR1C3 (0.44) | AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10 | |
| SCHEMBL9367610 | 0.62 | HTR2A (0.39) | PDK1PDK2PDK3PDK4SRD5A1 | |
| SCHEMBL27556655 | 0.61 | AKR1C3 (0.56) | AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6127379-A | TREATING IRRITABLE BOWEL SYNDROME, URINARY INCONTINENCE, ATRIAL ARRHYTHMIA OR STROKE | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-10-03 | — | — | US | disclosed |
| EP-0625149-A1 | BENZOPYRAN, BENZOTHIOPYRAN AND BENZOFURAN DERIVATIVES AS 5-HT4 ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-11-23 | — | — | EP | disclosed |
| WO-1993016072-A1 | BENZOPYRAN, BENZOTHIOPYRAN AND BENZOFURAN DERIVATIVES AS 5-HT4 ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-08-19 | — | — | WO | disclosed |