Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 7/20 | 0.43 |
| ▸ | NOS2 | P35228 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | HBB | P68871 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL12293602 | 0.87 | HRH3 (0.56) | ALDH1A1HRH3CA2NOS1NOS2 | |
| SCHEMBL12293605 | 0.81 | HRH3 (0.54) | ALDH1A1HRH3CA2NOS1NOS2 | |
| SCHEMBL17447228 | 0.79 | PYCR1 (0.61) | ALDH1A1HRH3PYCR1TSHRHTR2A | |
| SCHEMBL57323 | 0.78 | HRH3 (0.64) | ALDH1A1CYP3A4HRH3NOS1NOS2 | |
| SCHEMBL12920886 | 0.77 | CYP1A2 (0.61) | ALDH1A1CYP3A4HSD17B10NOS1NOS2 | |
| SCHEMBL25370014 | 0.76 | CYP19A1 (0.56) | ALDH1A1CYP3A4HSD17B10HRH3ALOX15 | |
| Hydrochloric Acid SCHEMBL56245 | 0.76 | HRH3 (0.61) | ALDH1A1CYP3A4HRH3NOS1NOS2 | |
| SCHEMBL22050430 | 0.76 | ALDH1A1 (0.55) | ALDH1A1CYP3A4HSD17B10HRH3ALOX15 | |
| SCHEMBL30014410 | 0.76 | CYP19A1 (0.56) | ALDH1A1CYP3A4HSD17B10HRH3ALOX15 | |
| Hydrochloric Acid SCHEMBL1322204 | 0.76 | HRH3 (0.61) | ALDH1A1CYP3A4HRH3NOS1NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004092181-A9 | HETEROCYCLIC MCHR1 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2005-01-27 | — | — | WO | disclosed |
| US-4897444-A | Immobilized fluorogenic substrates for enzymes; and processes for their preparation | THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) | 1990-01-30 | — | — | US | disclosed |