Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CREBBP | Q92793 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | VIP | P01282 | 1/20 | 0.41 |
| ▸ | KCNA6 | P17658 | 1/20 | 0.40 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.40 |
| ▸ | KCNA4 | P22459 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7845382 | 0.80 | PKM (0.60) | CREBBPPKMDAOHRH3ADRA2A | |
| SCHEMBL3425306 | 0.78 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C19DAOKCNA6 | |
| SCHEMBL12999930 | 0.77 | GPR84 (0.41) | CYP1A2CYP3A4CYP2C19ALDH1A1HPGD | |
| SCHEMBL13222147 | 0.76 | KDM4E (0.54) | KDM4E | |
| SCHEMBL15243719 | 0.75 | KCNA6 (0.51) | CREBBPCYP3A4PKMDAOHRH3 | |
| SCHEMBL1827611 | 0.75 | HDAC1 (0.60) | HRH3ALDH1A1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL2544551 | 0.75 | CREBBP (0.51) | CREBBPPKMALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL23782641 | 0.74 | HPGD (0.61) | CYP1A2CYP3A4CYP2C19ALDH1A1HPGD | |
| SCHEMBL12999915 | 0.73 | ENPP2 (0.43) | CYP1A2CYP3A4CYP2C19ALDH1A1HPGD | |
| SCHEMBL12999481 | 0.73 | ALDH1A1 (0.45) | CYP1A2CYP3A4CYP2C19ALDH1A1HPGD |
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-3707142-B1 | PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2021-12-08 | — | — | EP | disclosed |