Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 3/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | ACP1 | P24666 | 3/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6175219 | 0.79 | TSHR (0.50) | ALDH1A1TSHRNOS1NOS2HPGD | |
| SCHEMBL30704883 | 0.78 | NOS1 (0.49) | ALDH1A1TSHRNOS1NOS2HPGD | |
| SCHEMBL4200353 | 0.78 | NOS1 (0.49) | ALDH1A1TSHRNOS1NOS2HPGD | |
| SCHEMBL7258875 | 0.76 | ALDH1A1 (0.47) | ALDH1A1TSHRNOS1NOS2HPGD | |
| SCHEMBL23134330 | 0.76 | NOS1 (0.51) | ALDH1A1TSHRNOS1NOS2HPGD | |
| SCHEMBL989636 | 0.76 | ALDH1A1 (0.67) | ALDH1A1TSHRNOS1HPGDHTR7 | |
| SCHEMBL15034736 | 0.75 | ALDH1A1 (0.45) | ALDH1A1TSHRNOS1NOS2HPGD | |
| SCHEMBL23133807 | 0.75 | ALDH1A1 (0.45) | ALDH1A1TSHRNOS1NOS2HPGD | |
| SCHEMBL23134425 | 0.71 | ALDH1A1 (0.48) | ALDH1A1TSHRNOS1NOS2HPGD | |
| SCHEMBL3728364 | 0.71 | NOS1 (0.50) | ALDH1A1TSHRNOS1NOS2KDM1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3452464-B1 | PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF | HOFFMANN LA ROCHE (CH) | 2021-12-15 | — | — | EP | disclosed |