Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.51 |
| ▸ | BCHE | P06276 | 3/20 | 0.45 |
| ▸ | ACHE | P22303 | 3/20 | 0.45 |
| ▸ | BACE1 | P56817 | 3/20 | 0.45 |
| ▸ | LSS | P48449 | 1/20 | 0.44 |
| ▸ | PRCP | P42785 | 5/20 | 0.43 |
| ▸ | TEAD1 | P28347 | 2/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | GPR183 | P32249 | 1/20 | 0.41 |
| ▸ | AMPD2 | Q01433 | 1/20 | 0.41 |
| ▸ | PHGDH | O43175 | 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 | |
|---|---|---|---|---|
| SCHEMBL20782145 | 0.85 | ALDH1A1 (0.55) | ALDH1A1TSHRLMNAKCNH2BCHE | |
| SCHEMBL19567198 | 0.85 | ALDH1A1 (0.54) | ALDH1A1TSHRLMNAKCNH2BCHE | |
| SCHEMBL20782059 | 0.84 | ALDH1A1 (0.54) | ALDH1A1TSHRLMNAKCNH2BCHE | |
| SCHEMBL19567537 | 0.84 | SIGMAR1 (0.54) | ALDH1A1TSHRLMNAKCNH2 | |
| SCHEMBL24093423 | 0.84 | TSHR (0.68) | ALDH1A1TSHRLMNAKCNH2BCHE | |
| SCHEMBL19567191 | 0.83 | KDM4E (0.54) | ALDH1A1KCNH2BCHEACHEBACE1 | |
| SCHEMBL24093457 | 0.81 | ALDH1A1 (0.44) | ALDH1A1 | |
| SCHEMBL24092983 | 0.81 | CHKA (0.52) | ALDH1A1TSHRLMNAKCNH2LSS | |
| SCHEMBL20782192 | 0.81 | SIGMAR1 (0.47) | ALDH1A1TSHR | |
| SCHEMBL19567425 | 0.80 | USP2 (0.38) | ALDH1A1TSHRLMNACHRM4 |
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 |