Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 9/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | THRA | P10827 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11878819 | 0.86 | TSHR (0.56) | ALDH1A1CYP3A4TSHRRECQLALOX15 | |
| SCHEMBL5625474 | 0.84 | ALOX15 (0.59) | ALDH1A1CYP3A4TSHRRECQLALOX15 | |
| SCHEMBL1366317 | 0.82 | L3MBTL1 (0.58) | ALDH1A1CYP3A4TSHRRECQLALOX15 | |
| Hydrochloric Acid SCHEMBL6194113 | 0.82 | ALOX15 (0.58) | ALDH1A1CYP3A4TSHRRECQLALOX15 | |
| SCHEMBL31618974 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CYP3A4TSHRRECQLALOX15 | |
| SCHEMBL4067424 | 0.80 | TSHR (0.60) | CYP3A4TSHRTDP1VCAM1THRB | |
| SCHEMBL12377069 | 0.80 | ALDH1A1 (0.56) | ALDH1A1CYP3A4TSHRALOX15TDP1 | |
| SCHEMBL3693185 | 0.79 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TSHRRECQLALOX15 | |
| SCHEMBL9012097 | 0.79 | KIF18A (0.62) | ALDH1A1TSHRVCAM1MAPK1THRB | |
| SCHEMBL3872754 | 0.79 | VCAM1 (0.55) | TDP1VCAM1THRBNPC1POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4212647-A | Water-insoluble azo dyestuffs which are derivatives of 1-aryl-3-trifluoromethyl-5-pyrazolones | PRODUITS CHIMIQUES UGINE KUHLMANN (FR) | 1980-07-15 | — | — | US | disclosed |
| US-3931142-A | Heterocyclic containing disazo compounds | CIBA-GEIGY AG (CH) | 1976-01-06 | — | — | US | disclosed |