Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6595259 | 0.87 | AR (0.48) | NPC1RAB9ATP53HSD17B10ALDH1A1 | |
| SCHEMBL8807177 | 0.80 | MAPT (0.50) | NPC1RAB9AALDH1A1HPGDTSHR | |
| SCHEMBL5843410 | 0.79 | ALDH1A1 (0.38) | NPC1RAB9ATP53HSD17B10ALDH1A1 | |
| SCHEMBL5841619 | 0.77 | NLRP3 (0.43) | HSD17B10ALDH1A1HPGDTSHRMAPT | |
| SCHEMBL5843345 | 0.74 | ALDH1A1 (0.44) | ALDH1A1KDM4EAR | |
| SCHEMBL5844399 | 0.73 | ALOX5AP (0.32) | — | |
| SCHEMBL5842046 | 0.73 | ALDH1A1 (0.35) | HSD17B10ALDH1A1HPGDTSHRKDM4E | |
| SCHEMBL6595260 | 0.73 | MAPT (0.56) | NPC1RAB9ATP53HSD17B10ALDH1A1 | |
| SCHEMBL8894491 | 0.72 | ALDH1A1 (0.33) | ALDH1A1HPGDTSHRAR | |
| SCHEMBL4845134 | 0.72 | ALDH1A1 (0.72) | NPC1RAB9ATP53HSD17B10ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001009087-A1 | SUBSTITUTED ARYLHYDRAZONE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-02-08 | — | — | WO | disclosed |
| EP-1070055-A1 | SUBSTITUTED PHENYL PYRIDAZINONES | Bayer Aktiengesellschaft (DE) | 2001-01-24 | — | — | EP | disclosed |
| WO-2000008000-A1 | USE OF SUBSTITUTED TRIAZINONES AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-02-17 | — | — | WO | disclosed |
| WO-1999052878-A1 | SUBSTITUTED PHENYL PYRIDAZINONES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-10-21 | — | — | WO | disclosed |
| WO-1997005117-A1 | SUBSTITUTED 1-PHENYLURACIL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-02-13 | — | — | WO | disclosed |