Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.53 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.53 |
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 2/20 | 0.43 |
| ▸ | RARA | P10276 | 1/20 | 0.43 |
| ▸ | RARG | P13631 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL15725298 | 0.84 | CA2 (0.45) | CYP17A1CYP11B1CYP11B2KIF11CA2 | |
| SCHEMBL8670885 | 0.83 | KIF11 (0.65) | CYP17A1CYP11B1CYP11B2KIF11TAAR1 | |
| SCHEMBL7452563 | 0.83 | RPA1 (0.46) | KIF11CA2TAAR1MAOBGAA | |
| SCHEMBL1238835 | 0.83 | ALDH1A1 (0.52) | CA2MAOBTDP1KDM4EALDH1A1 | |
| SCHEMBL30986331 | 0.83 | ALDH1A1 (0.52) | CA2MAOBTDP1KDM4EALDH1A1 | |
| SCHEMBL19824427 | 0.80 | TDP1 (0.48) | KIF11TAAR1RARBRARARARG | |
| Hydrochloric Acid SCHEMBL29385479 | 0.80 | MAOB (0.68) | CYP17A1CYP11B1CYP11B2TAAR1MAOB | |
| SCHEMBL16258014 | 0.80 | CYP17A1 (0.53) | CYP17A1CYP11B1CYP11B2KIF11TAAR1 | |
| SCHEMBL14220012 | 0.80 | CYP17A1 (0.53) | CYP17A1CYP11B1CYP11B2TAAR1RARB | |
| SCHEMBL16258048 | 0.80 | CYP17A1 (0.53) | CYP17A1CYP11B1CYP11B2KIF11TAAR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5811029-A | DIELECTRIC ANISOTROPY, CHEMICAL RESISTANCE, STORAGE STABILITY; ELECTROOPTICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-09-22 | — | — | US | disclosed |
| US-5389295-A | Electrooptic display | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-02-14 | — | — | US | disclosed |
| EP-0438575-B1 | BENZOL DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 1994-10-26 | — | — | EP | disclosed |
| WO-1991002710-A2 | BENZOL DERIVATIVES AND LIQUID CRYSTALLINE MEDIUM | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-03-07 | — | — | WO | disclosed |