Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | RARG | P13631 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10916450 | 0.94 | ALDH1A1 (0.40) | ALDH1A1LMNAMAPTPTGS2TDP1 | |
| SCHEMBL11444831 | 0.88 | CYP1A2 (0.48) | ALDH1A1LMNAMAPTPTGS2TDP1 | |
| SCHEMBL9069306 | 0.84 | ECE1 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9069313 | 0.83 | MME (0.58) | ALDH1A1LMNAMAPTPTGS2TDP1 | |
| SCHEMBL10916522 | 0.82 | CYP1A2 (0.37) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11210981 | 0.81 | ADRA1A (0.45) | MMEACECPB2KISS1R | |
| SCHEMBL11208669 | 0.80 | ADRA1A (0.47) | MMECPB2KISS1R | |
| SCHEMBL11442611 | 0.80 | ADRA1A (0.47) | MMECPB2KISS1R | |
| SCHEMBL10916226 | 0.80 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPTCYP1A2CYP3A4 | |
| SCHEMBL11444830 | 0.78 | CYP1A2 (0.47) | ALDH1A1LMNAMAPTPTGS2TDP1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5496805-A | DIURETIC, HYPOTENSIVE | E. R. SQUIBB & SONS, INC. (US) | 1996-03-05 | — | — | US | disclosed |
| EP-0067429-B1 | INHIBITORS OF MAMMALIAN COLLAGENASE | E.R. Squibb & Sons, Inc. (US) | 1986-04-16 | — | — | EP | disclosed |
| US-4424354-A | MERCAPTOALKANOYL DERIVATIVES OF PEPTIDES | E. R. SQUIBB & SONS, INC. (US) | 1984-01-03 | — | — | US | disclosed |
| US-4382081-A | ANTIARRTHRITIC AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1983-05-03 | — | — | US | disclosed |
| EP-0021766-B1 | INHIBITORS OF MAMMALIAN COLLAGENASE | E.R. Squibb & Sons, Inc. (US) | 1983-02-09 | — | — | EP | disclosed |
| EP-0067429-A1 | Inhibitors of mammalian collagenase | E.R. Squibb & Sons, Inc. (US) | 1982-12-22 | — | — | EP | disclosed |
| US-4297275-A | Inhibitors of mammalian collagenase | E. R. SQUIBB & SONS, INC. (US) | 1981-10-27 | — | — | US | disclosed |
| EP-0021766-A2 | Inhibitors of mammalian collagenase | E.R. Squibb & Sons, Inc. (US) | 1981-01-07 | — | — | EP | disclosed |
| US-4235885-A | Inhibitors of mammalian collagenase | E. R. SQUIBB & SONS, INC. (US) | 1980-11-25 | — | — | US | disclosed |