Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.70 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.70 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | PTGES | O14684 | 1/20 | 0.46 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.46 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALB | P02768 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2579895 | 0.99 | AKR1C3 (0.69) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL11037919 | 0.84 | AKR1C3 (1.00) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL29481380 | 0.84 | AKR1C3 (1.00) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| Acetic Acid SCHEMBL11761270 | 0.83 | AKR1C3 (0.93) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL11255524 | 0.82 | AKR1C3 (0.74) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL11615785 | 0.81 | AKR1C3 (0.73) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL11086794 | 0.81 | AKR1C3 (0.76) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL11025362 | 0.80 | AKR1C3 (0.68) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL5268342 | 0.80 | AKR1C3 (0.78) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL11262826 | 0.80 | AKR1C3 (0.78) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2115140-A1 | POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF 1H-IMIDAZO [4, 5-C] QUINOLIN-4-AMINES AND RELATED COMPOUNDS WITH VERY HIGH SKIN PENETRATION RATES | Yu, Chongxi (US) | 2009-11-11 | — | — | EP | claimed |
| WO-2008093173-A1 | POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF 1H-IMIDAZO[4, 5-C]QUINOLIN-4-AMINES AND RELATED COMPOUNDS WITH VERY HIGH SKIN PENETRATION RATES | YU CHONGXI (US) | 2008-08-07 | — | — | WO | claimed |
| EP-2049482-A1 | POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF ARYL- AND HETEROARYLACETIC ACIDS WITH VERY FAST SKIN PENETRATION RATE | Techfields Biochem Co. Ltd (CN) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008017903-A1 | POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF ARYL- AND HETEROARYLACETIC ACIDS WITH VERY FAST SKIN PENETRATION RATE | TECHFIELDS BIOCHEM CO. LTD (CN) | 2008-02-14 | — | — | WO | disclosed |