Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.76 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.76 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.76 |
| ▸ | CNR1 | P21554 | 1/20 | 0.62 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.62 |
| ▸ | FYN | P06241 | 3/20 | 0.58 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.58 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.58 |
| ▸ | NQO2 | P16083 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.55 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.55 |
| ▸ | MGLL | Q99685 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL18770402 | 0.88 | CYP17A1 (0.70) | CYP17A1CYP11B1CYP11B2CNR1NTRK1 | |
| SCHEMBL3786463 | 0.86 | NQO2 (0.73) | CYP17A1CYP11B1CYP11B2CNR1NQO2 | |
| SCHEMBL30690003 | 0.85 | CNR1 (0.64) | CYP17A1CYP11B1CYP11B2CNR1SMN1; SMN2 | |
| SCHEMBL27811104 | 0.85 | CNR1 (0.64) | CYP17A1CYP11B1CYP11B2CNR1SMN1; SMN2 | |
| SCHEMBL8577619 | 0.84 | SMN1; SMN2 (0.70) | CYP17A1CYP11B1CYP11B2CNR1PIP4K2A | |
| SCHEMBL11222723 | 0.84 | CNR1 (0.64) | CYP17A1CYP11B1CYP11B2CNR1FYN | |
| SCHEMBL11227834 | 0.83 | CYP17A1 (0.56) | CYP17A1CYP11B1CYP11B2NTRK1NQO2 | |
| SCHEMBL11182466 | 0.83 | CYP3A4 (0.63) | CYP17A1CYP11B1CYP11B2CNR1NPC1 | |
| SCHEMBL11624044 | 0.83 | CNR1 (0.58) | CYP17A1CYP11B1CYP11B2CNR1NPC1 | |
| SCHEMBL2646435 | 0.82 | CNR1 (0.63) | CYP17A1CYP11B1CYP11B2CNR1FYN |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4351944-A | Improved process for preparing 3-(4-pyridinyl)aniline | STERLING DRUG INC. (US) | 1982-09-28 | — | — | US | claimed |
| WO-2007130743-A2 | CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS | ARRAY BIOPHARMA, INC. (US) | 2007-11-15 | — | — | WO | disclosed |
| US-4727148-A | Certain aromatization process for preparing 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinoline carboxylic acid | ETHYL CORPORATION (US) | 1988-02-23 | — | — | US | disclosed |
| US-4649202-A | Brominative aromatization of 4-cyclohexenylpyridines | ETHYL CORPORATION (US) | 1987-03-10 | — | — | US | disclosed |
| US-4604467-A | Certain 4-(3,4-dibromocyclohexyl)pyridines | ETHYL CORPORATION (US) | 1986-08-05 | — | — | US | disclosed |
| US-4552963-A | Preparation of 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinolinecarboxylic acid | ETHYL CORPORATION (US) | 1985-11-12 | — | — | US | disclosed |
| US-4552964-A | 4-(1-Chlorocyclohex-3-enyl)pyridines and preparation of 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinolinecarboxylic acid | ETHYL CORPORATION (US) | 1985-11-12 | — | — | US | disclosed |
| US-4550167-A | Preparation of 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinoline carboxylic acid | ETHYL CORPORATION (US) | 1985-10-29 | — | — | US | disclosed |
| US-4533735-A | Process for preparing antibacterial compounds | ETHYL CORPORATION (US) | 1985-08-06 | — | — | US | disclosed |
| US-4377585-A | Use of 4-[4(or 3)-aminophenyl]pyridines as cardiotonic agents | STERLING DRUG INC. (US) | 1983-03-22 | — | — | US | disclosed |
| US-4351944-A | Improved process for preparing 3-(4-pyridinyl)aniline | STERLING DRUG INC. (US) | 1982-09-28 | — | — | US | disclosed |
| US-4351944-A | Improved process for preparing 3-(4-pyridinyl)aniline | STERLING DRUG INC. (US) | 1982-09-28 | — | — | US | disclosed |
| EP-0056260-A1 | Pyridinyl-substituted-benz imidazole derivatives and preparation | STERLING DRUG INC. (US) | 1982-07-21 | — | — | EP | disclosed |
| EP-0055453-A2 | 5-(Pyridinyl)-benzimidazole derivatives and preparation | STERLING DRUG INC. (US) | 1982-07-07 | — | — | EP | disclosed |
| US-4335132-A | 5-(Py-Y)-1H-benzimidazol-2-ols and 5-(Py-Y-)-1H-benzimidazole-2-thiols | STERLING DRUG, INC. (US) | 1982-06-15 | — | — | US | disclosed |
| US-4331671-A | 5-(Pyridinyl)-1H-benzimidazoles and 1-hydroxy-6-(pyridinyl)-1H-benzimidazoles and their cardiotonic use | STERLING DRUG INC. (US) | 1982-05-25 | — | — | US | disclosed |
| US-4317827-A | 4-[4(or 3)-Acylaminophenyl]pyridines and their use as cardiotonics | STERLING DRUG INC. (US) | 1982-03-02 | — | — | US | disclosed |
| US-4297362-A | 4-(3,4-Diaminophenyl)pyridine or salts, and use thereof as cardiotonic | STERLING DRUG INC. (US) | 1981-10-27 | — | — | US | disclosed |
| US-4246420-A | FROM ETHYL 5-OXO-2-((4-PYRIDYL)-CARBONYL)HEXONATE USING A ONE POT SEQUENCE | STERLING DRUG INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4118557-A | Cyclic alkylidenyl N-(lower-alkyl)-3-(pyridinyl)anilinomethylenemalonates | STERLING DRUG INC. (US) | 1978-10-03 | — | — | US | disclosed |