Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | AGXT | P21549 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18469367 | 0.80 | PYCR1 (0.48) | PYCR1IDO1HRH3TAAR1ALDH1A1 | |
| SCHEMBL8178161 | 0.79 | TSHR (0.58) | PYCR1TAAR1CNR2ALDH1A1TSHR | |
| SCHEMBL17454773 | 0.77 | TAAR1 (0.64) | PYCR1HRH3TAAR1ALDH1A1TSHR | |
| SCHEMBL19936532 | 0.77 | PYCR1 (0.51) | PYCR1IDO1TAAR1ALDH1A1TSHR | |
| SCHEMBL12374 | 0.75 | HRH3 (0.67) | PYCR1IDO1CYP2C19HRH3CYP1A2 | |
| SCHEMBL16312619 | 0.75 | PYCR1 (0.65) | PYCR1IDO1CYP2C19HRH3CYP1A2 | |
| Phosphine SCHEMBL25337730 | 0.73 | HRH3 (0.64) | PYCR1IDO1CYP2C19HRH3CYP1A2 | |
| Bromide SCHEMBL3977215 | 0.73 | HRH3 (0.64) | PYCR1IDO1CYP2C19HRH3CYP1A2 | |
| Bromide SCHEMBL3671914 | 0.73 | HRH3 (0.64) | PYCR1IDO1CYP2C19HRH3CYP1A2 | |
| Hydrochloric Acid SCHEMBL28688142 | 0.73 | HRH3 (0.64) | PYCR1IDO1CYP2C19HRH3CYP1A2 |
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-3150576-B1 | SUBSTITUTED ACETOHYDRAZIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE | INST PHARMACOLOGY & TOXICOLOGY ACADEMY MILITARY MEDICAL SCIENCES PLA CHINA (CN) | 2019-07-10 | — | — | EP | disclosed |