Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | CETP | P11597 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| SCHEMBL194052 | 0.87 | TSHR (0.44) | CETPALDH1A1TSHRHSD17B10TRPV1 | |
| SCHEMBL7988352 | 0.86 | ALDH1A1 (0.60) | KIF11CETPALDH1A1TSHRHSD17B10 | |
| SCHEMBL1907911 | 0.84 | ALDH1A1 (0.48) | CETPALDH1A1TSHRHSD17B10TRPV1 | |
| SCHEMBL7988345 | 0.82 | KIF11 (0.41) | KIF11CETPALDH1A1TSHRHSD17B10 | |
| SCHEMBL22390547 | 0.81 | NPY5R (0.50) | KIF11ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18293362 | 0.80 | KIF11 (0.50) | KIF11HDAC1HDAC2HDAC3HDAC4 | |
| SCHEMBL306823 | 0.80 | KIF11 (0.50) | KIF11HDAC1HDAC2HDAC3HDAC4 | |
| SCHEMBL28910204 | 0.78 | SERPINE1 (0.49) | KIF11HDAC1HDAC2HDAC3HDAC4 | |
| SCHEMBL22389477 | 0.77 | CYP1A2 (0.50) | ALDH1A1TRPV1CYP1A2GAACYP2C9 | |
| SCHEMBL8440604 | 0.77 | KIF11 (0.46) | KIF11ALDH1A1HSD17B10CYP1A2GAA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6172093-B1 | PESTICIDES, INSECTICIDES, NEMATOCIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-01-09 | — | — | US | disclosed |
| EP-0993451-A1 | 2-(2-METHYLPHENYL)-OXAZOLINES | BAYER AG (DE) | 2000-04-19 | — | — | EP | disclosed |
| US-5969147-A | Substituted biphenyloxazolines | BAYER AKTIENGESELLSCHAFT (DE) | 1999-10-19 | — | — | US | disclosed |
| EP-0696584-B1 | Substituted biphenyloxazolines and their use as fungicides | BAYER AG (DE) | 1999-01-20 | — | — | EP | disclosed |
| WO-1999001443-A1 | 2-(2-METHYLPHENYL)-OXAZOLINES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-01-14 | — | — | WO | disclosed |
| EP-0696584-A1 | Substituted biphenyloxazolines and their use as fungicides | BAYER AG (DE) | 1996-02-14 | — | — | EP | disclosed |