Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL11550389 | 0.76 | ALDH1A1 (0.50) | CYP3A4CYP2C9CYP2C19TSHRHPGD | |
| SCHEMBL274839 | 0.68 | SLC6A2 (0.70) | CYP2C19SLC6A2TSHRCYP1A2ALDH1A1 | |
| SCHEMBL9312725 | 0.67 | CYP1A2 (0.47) | CYP3A4SLC6A2TSHRHPGDCYP1A2 | |
| SCHEMBL8141682 | 0.65 | CYP1A2 (0.67) | HPGDCYP1A2ALDH1A1TDP1MAPT | |
| SCHEMBL4055295 | 0.63 | ALDH1A1 (0.43) | CYP3A4CYP2C9CYP2C19SLC6A2TSHR | |
| SCHEMBL626632 | 0.63 | ALDH1A1 (0.43) | CYP3A4CYP2C9CYP2C19SLC6A2TSHR | |
| SCHEMBL7009002 | 0.63 | ALDH1A1 (0.43) | CYP3A4CYP2C9CYP2C19SLC6A2TSHR | |
| SCHEMBL15570466 | 0.62 | CYP1A2 (0.41) | CYP3A4CYP2C9CYP2C19SLC6A2TSHR | |
| SCHEMBL30969037 | 0.60 | CYP1A2 (0.40) | CYP3A4CYP2C9CYP2C19SLC6A2TSHR | |
| SCHEMBL385175 | 0.60 | — | — |
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-4172835-A | URINARY ANTISEPTIC, HYPOTENSIVE AGENT AND HYPOGLYCEMIC AGENT | STERLING DRUG INC. (US) | 1979-10-30 | — | — | US | disclosed |
| US-4163015-A | ANTIBACTERIAL AGENTS | STERLING DRUG INC. (US) | 1979-07-31 | — | — | US | disclosed |
| US-4138405-A | BACTERICIDES | STERLING DRUG INC. (US) | 1979-02-06 | — | — | US | disclosed |