Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL9523490 | 0.86 | CA2 (0.61) | CA2CA1CA12CA7CA14 | |
| Sulfuric Acid SCHEMBL9523482 | 0.86 | CA2 (0.61) | CA2CA1CA12CA7CA14 | |
| SCHEMBL28471233 | 0.84 | CA2 (0.56) | CA2CA1SMN1; SMN2CA12CA7 | |
| SCHEMBL29102028 | 0.81 | HTT (0.43) | CA2CA1SMN1; SMN2HTTCA12 | |
| Methoxymethane SCHEMBL10589288 | 0.81 | MEN1 (0.64) | SMN1; SMN2HTTMAOAMEN1KMT2A | |
| Benzyl Alcohol SCHEMBL29257722 | 0.80 | TSHR (0.58) | CA2CA1SMN1; SMN2HTTCA12 | |
| SCHEMBL14890478 | 0.80 | SMN1; SMN2 (0.40) | CA2CA1SMN1; SMN2HTTMEN1 | |
| Benzenemethanethiol SCHEMBL10351782 | 0.78 | IDO1 (0.56) | CA2CA1HTTCA12CA7 | |
| Benzylamine SCHEMBL12985628 | 0.78 | LOXL2 (0.56) | CA2CA1SMN1; SMN2CA12CA7 | |
| Phenylmethanesulfonic Acid SCHEMBL5078710 | 0.78 | PRSS1 (0.49) | CA2CA1SMN1; SMN2KMT2AALDH1A1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0235628-B1 | 1-ARYLPYRAZOLES | BAYER AG (DE) | 1991-04-24 | — | — | EP | disclosed |
| EP-0232538-B1 | 5-ACYLAMIDO-1-ARYL PYRAZOLES | BAYER AG (DE) | 1990-05-23 | — | — | EP | disclosed |
| EP-0222253-B1 | SUBSTITUTED 5-AMINO-1-ARYL-PYRAZOLES | BAYER AG (DE) | 1989-04-05 | — | — | EP | disclosed |
| US-4814001-A | PLANT GROWTH REGULATORS | BAYER AKTIENGESELLSCHAFT (DE) | 1989-03-21 | — | — | US | disclosed |
| US-4810283-A | PRE- AND POSTEMERGENCE | BAYER AKTIENGESELLSCHAFT (DE) | 1989-03-07 | — | — | US | disclosed |
| EP-0173821-B1 | SUBSTITUTED 5-AMINO-1-PHENYL PYRAZOLES | BAYER AG (DE) | 1989-01-18 | — | — | EP | disclosed |
| US-4772310-A | 5-acylamino-pyrazole derivatives, composition containing them, and their use as herbicides and plant growth | BAYER AKTIENGESELLSCHAFT (DE) | 1988-09-20 | — | — | US | disclosed |
| US-4740232-A | Substituted 5-amino-1-phenylpyrazoles composition containing them and herbicidal method of using them | BAYER AKTIENGESELLSCHAFT (DE) | 1988-04-26 | — | — | US | disclosed |
| US-4734125-A | 5-acylamido-1-aryl-pyrazoles, composition containing them and herbicidal method of using them | BAYER AKTIENGESELLSCHAFT (DE) | 1988-03-29 | — | — | US | disclosed |
| EP-0257479-A1 | Substituted 1-aryl-3-tert.-butyl pyrazoles | BAYER AG (DE) | 1988-03-02 | — | — | EP | disclosed |
| US-4695308-A | Herbicidal substituted 5-amino-1-aryl-pyrazoles | BAYER AKTIENGESELLSCHAFT (DE) | 1987-09-22 | — | — | US | disclosed |
| EP-0235628-A2 | 1-Arylpyrazoles | BAYER AG (DE) | 1987-09-09 | — | — | EP | disclosed |
| EP-0232538-A2 | 5-Acylamido-1-aryl pyrazoles | BAYER AG (DE) | 1987-08-19 | — | — | EP | disclosed |
| EP-0173821-A1 | Substituted 5-amino-1-phenyl pyrazoles | BAYER AG (DE) | 1986-03-12 | — | — | EP | disclosed |