Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 3/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.50 |
| ▸ | HSD17B14 | Q9BPX1 | 5/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9393504 | 0.86 | AKR1C3 (0.53) | HSD17B1HSD17B2HSD17B14KDM4EALDH1A1 | |
| SCHEMBL5231025 | 0.84 | ALDH1A1 (0.60) | CES2BCHECES1KDM4EALDH1A1 | |
| SCHEMBL29730916 | 0.82 | THRB (0.52) | HSD17B1HSD17B2HSD17B14CES2BCHE | |
| SCHEMBL1067211 | 0.82 | THRB (0.52) | HSD17B1HSD17B2HSD17B14CES2BCHE | |
| SCHEMBL27323566 | 0.82 | ALDH1A1 (0.54) | HSD17B1HSD17B2HSD17B14CES2BCHE | |
| SCHEMBL201206 | 0.82 | KDM4E (0.61) | HSD17B1HSD17B2HSD17B14CES2BCHE | |
| SCHEMBL8181848 | 0.81 | CES2 (0.59) | HSD17B14CES2BCHECES1KDM4E | |
| SCHEMBL3440833 | 0.78 | CES2 (0.74) | CES2BCHECES1ALDH1A1HPGD | |
| SCHEMBL11212084 | 0.78 | CES2 (0.44) | HSD17B14CES2CES1HPGDSMN1; SMN2 | |
| SCHEMBL24445885 | 0.77 | GAA (0.58) | HSD17B1HSD17B2HSD17B14CES2BCHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4618726-A | DEACTIVATED BENZENE COMPOUND WITH CARBONYL HALIDE IN LIQUID HYDROFLUORIC ACID AND BORON TRIFLUORIDE | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1986-10-21 | — | — | US | disclosed |