Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31342724 | 0.84 | BRD4 (0.43) | AAK1MTNR1AMTNR1BMAPTALDH1A1 | |
| SCHEMBL4014579 | 0.84 | BRD4 (0.43) | AAK1MTNR1AMTNR1BMAPTALDH1A1 | |
| SCHEMBL1403339 | 0.81 | KDM4E (0.40) | MAPTALDH1A1TSHRKDM4ECYP1A2 | |
| SCHEMBL6879931 | 0.81 | MRGPRX4 (0.37) | MAPTALDH1A1MT-CO2KDM4ECYP1A2 | |
| SCHEMBL19643775 | 0.81 | MAPT (0.43) | MAPTALDH1A1GRM4TSHRAPOBEC3A | |
| SCHEMBL246278 | 0.79 | CA1 (0.42) | MAPTALDH1A1MT-CO2KDM4EMEN1 | |
| SCHEMBL28705822 | 0.79 | KDM4E (0.43) | MAPTALDH1A1TSHRKDM4ECYP1A2 | |
| SCHEMBL2529611 | 0.78 | MT-CO2 (0.42) | MAPTMT-CO2KDM4ERAB9A | |
| SCHEMBL4022651 | 0.78 | MTNR1A (0.38) | AAK1MTNR1AMTNR1BMAPTALDH1A1 | |
| SCHEMBL14740797 | 0.77 | RAB9A (0.41) | AAK1MAPTALDH1A1TSHRHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |
| EP-3252049-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |