Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | AAK1 | Q2M2I8 | 10/20 | 0.44 |
| ▸ | FABP6 | P51161 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8362696 | 1.00 | ALDH1A1 (0.46) | ALDH1A1USP2HPGDHTTAAK1 | |
| SCHEMBL6511841 | 0.77 | CYP1A2 (0.65) | ALDH1A1USP2HPGDHTTFABP6 | |
| SCHEMBL12335533 | 0.77 | CYP1A2 (0.65) | ALDH1A1USP2HPGDHTTFABP6 | |
| SCHEMBL29097800 | 0.74 | FABP6 (0.52) | ALDH1A1USP2HPGDHTTFABP6 | |
| SCHEMBL12724845 | 0.73 | KDM4E (0.62) | ALDH1A1USP2HPGDHTTFABP6 | |
| SCHEMBL7730510 | 0.73 | ALPL (0.47) | ALDH1A1USP2HPGDHTTAAK1 | |
| SCHEMBL1524038 | 0.71 | FABP6 (0.52) | ALDH1A1USP2HPGDHTTFABP6 | |
| SCHEMBL7733577 | 0.69 | AAK1 (0.45) | ALDH1A1HPGDAAK1MAPTKMT2A | |
| SCHEMBL1260391 | 0.69 | KDM4E (0.47) | ALDH1A1USP2HPGDHTTFABP6 | |
| Hydrochloric Acid SCHEMBL7854622 | 0.69 | KMT2A (0.54) | ALDH1A1USP2HPGDHTTFABP6 |
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-6436980-B1 | TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES | ESSENTIAL THERAPEUTICS, INC. | 2002-08-20 | — | — | US | disclosed |
| US-6204279-B1 | SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES | MICROCIDE PHARMACEUTICALS, INC. | 2001-03-20 | — | — | US | disclosed |