Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | ESRRG | P62508 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL21592421 | 0.84 | ALDH1A1 (0.47) | ALDH1A1MAPK1TSHRCYP3A4TDP1 | |
| SCHEMBL21592416 | 0.81 | KMT2A (0.49) | ALDH1A1MAPK1TSHRCYP3A4TDP1 | |
| SCHEMBL10262063 | 0.74 | HRH3 (0.67) | ALDH1A1MAPK1TSHRCYP3A4TDP1 | |
| SCHEMBL250522 | 0.74 | ALDH1A1 (0.58) | ALDH1A1MAPK1TSHRCYP3A4TDP1 | |
| SCHEMBL4405018 | 0.73 | ALDH1A1 (0.70) | ALDH1A1MAPK1TSHRCYP3A4TDP1 | |
| SCHEMBL28008810 | 0.73 | ALDH1A1 (0.52) | ALDH1A1MAPK1TSHRCYP3A4TDP1 | |
| SCHEMBL4473781 | 0.72 | ALDH1A1 (0.61) | ALDH1A1MAPK1TSHRCYP3A4TDP1 | |
| SCHEMBL472281 | 0.72 | FFAR1 (0.59) | ALDH1A1MAPK1TSHRCYP3A4TDP1 | |
| SCHEMBL8136098 | 0.72 | ALDH1A1 (0.59) | ALDH1A1MAPK1TSHRCYP3A4TDP1 | |
| SCHEMBL13589633 | 0.70 | NPC1 (0.62) | ALDH1A1MAPK1TSHRCYP3A4TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022166920-A1 | PYRROLOPYRIDAZINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 杭州中美华东制药有限公司 | 2022-08-11 | — | — | WO | disclosed |