Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | RAF1 | P04049 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.53 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.53 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9196606 | 0.86 | VCAM1 (0.68) | VCAM1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL31397883 | 0.86 | VCAM1 (0.59) | VCAM1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL31397882 | 0.86 | VCAM1 (0.59) | VCAM1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL31397867 | 0.85 | VCAM1 (0.66) | VCAM1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL3440894 | 0.84 | VCAM1 (0.64) | VCAM1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL2002281 | 0.82 | VCAM1 (0.57) | VCAM1ALDH1A1MAPTHPGDLMNA | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL6101 | 0.79 | VCAM1 (0.77) | VCAM1ALDH1A1MAPTHPGDLMNA | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL30234086 | 0.79 | VCAM1 (0.77) | VCAM1ALDH1A1MAPTHPGDLMNA | |
| SCHEMBL8305858 | 0.79 | TSHR (0.57) | HPGDCYP1A2CYP2C9CYP2C19 | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL8028245 | 0.78 | VCAM1 (0.74) | VCAM1ALDH1A1MAPTHPGDLMNA |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5753642-A | AGRICULTURE, MEDICINE | ROHM AND HAAS COMPANY (US) | 1998-05-19 | — | — | US | disclosed |
| US-5728694-A | Dihydropyridazinones, pyridazinones and related compounds as fungicides | ROHM AND HAAS COMPANY (US) | 1998-03-17 | — | — | US | disclosed |
| US-5728698-A | AGRICULTURAL USE, RICE, WHEAT | ROHM AND HAAS COMPANY (US) | 1998-03-17 | — | — | US | disclosed |
| US-5728715-A | FOR MAMMALS, AGRICULTURE, RICE, WHEAT, TOMATOES | ROHM AND HAAS COMPANY (US) | 1998-03-17 | — | — | US | disclosed |
| US-5726162-A | FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES | ROHM AND HAAS COMPANY (US) | 1998-03-10 | — | — | US | disclosed |
| US-5726176-A | FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES | ROHM AND HAAS COMPANY (US) | 1998-03-10 | — | — | US | disclosed |
| US-5631254-A | RICE; HUMAN INFECTIONS | ROHM AND HAAS COMPANY (US) | 1997-05-20 | — | — | US | disclosed |
| US-5552409-A | PHYTOPATHOGENIC, RICE | ROHM AND HAAS COMPANY (US) | 1996-09-03 | — | — | US | disclosed |
| EP-0478195-A1 | Dihydropyridazinones, pyridazinones and related compounds as fungicides | ROHM AND HAAS COMPANY (US) | 1992-04-01 | — | — | EP | disclosed |
| EP-0172141-B1 | SUBSTITUTED PYRIDAZINONES, METHOD FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATION CONTAINING THESE COMPOUNDS AND THEIR USE | CIBA-GEIGY AG (CH) | 1988-12-07 | — | — | EP | disclosed |
| US-4704391-A | Pyridazinones, and pharmaceutical preparations thereof | CIBA-GEIGY CORPORATION (US) | 1987-11-03 | — | — | US | disclosed |
| US-4654340-A | Pyridazinones, pharmaceutical preparations containing these compounds, and the use thereof | CIBA-GEIGY CORPORATION (US) | 1987-03-31 | — | — | US | disclosed |
| US-4624951-A | Substituted pyridazinones, pharmaceutical preparations containing these compounds, and the use thereof | CIBA-GEIGY CORPORATION (US) | 1986-11-25 | — | — | US | disclosed |
| US-4613599-A | Method of treating thrombotic disease with pyridazinones | CIBA-GEIGY CORPORATION (US) | 1986-09-23 | — | — | US | disclosed |
| EP-0172141-A1 | Substituted pyridazinones, method for their preparation, pharmaceutical preparation containing these compounds and their use | CIBA-GEIGY AG (CH) | 1986-02-19 | — | — | EP | disclosed |
| EP-0059688-B1 | PYRIDAZINONES, METHOD FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND THEIR USE | CIBA-GEIGY AG (CH) | 1985-05-15 | — | — | EP | disclosed |
| EP-0059688-A1 | Pyridazinones, method for their preparation, pharmaceutical compositions containing these compounds and their use | CIBA-GEIGY AG (CH) | 1982-09-08 | — | — | EP | disclosed |