Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.54 |
| ▸ | TSHR | P16473 | 5/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1834494 | 0.98 | CYP1A2 (0.56) | CYP1A2TSHRCYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL20621491 | 0.82 | CYP1A2 (0.52) | CYP1A2TSHRCYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL19732624 | 0.80 | CYP1A2 (0.43) | CYP1A2TSHRCYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL29862287 | 0.79 | CYP1A2 (0.48) | CYP1A2TSHRCYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL21065777 | 0.79 | CYP1A2 (0.42) | CYP1A2TSHRCYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL23458378 | 0.79 | CYP1A2 (0.48) | CYP1A2TSHRCYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL29862036 | 0.79 | TSHR (0.48) | CYP1A2TSHRCYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL23458223 | 0.79 | TSHR (0.48) | CYP1A2TSHRCYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL6689987 | 0.77 | TSHR (0.47) | CYP1A2TSHRCYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL380067 | 0.77 | ALDH1A1 (0.46) | CYP1A2TSHRCYP2A6ALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-6096144-A | TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2000-08-01 | — | — | US | disclosed |
| US-5858571-A | TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1999-01-12 | — | — | US | disclosed |