Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 2/20 | 0.46 |
| ▸ | KMO | O15229 | 2/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.43 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | GRK6 | P43250 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL27717172 | 0.84 | ACMSD (0.50) | DHODHKMOMCL1KDM4E | |
| SCHEMBL415485 | 0.82 | KDM4E (0.55) | MAPTPOLBMCL1SMN1; SMN2KDM4E | |
| SCHEMBL3519078 | 0.82 | MCL1 (0.51) | MAPTMEN1KMT2APOLBMCL1 | |
| SCHEMBL28214966 | 0.82 | DCLRE1B (0.47) | PIN1DHODHKMOJAK2JAK3 | |
| SCHEMBL27579261 | 0.81 | TPMT (0.43) | DHODHMEN1KMT2APOLBNPC1 | |
| SCHEMBL16974002 | 0.81 | SMN1; SMN2 (0.46) | AKR1C2AKR1C1DHODHMAPTMEN1 | |
| Ethylene SCHEMBL27448159 | 0.79 | KDM4E (0.51) | MAPTPOLBMCL1SMN1; SMN2KDM4E | |
| SCHEMBL25347360 | 0.77 | TDP1 (0.59) | MAPTMEN1KMT2AGRK6NPC1 | |
| SCHEMBL6850959 | 0.77 | IDO1 (0.46) | JAK2JAK3NOTUMMAPK14NPC1 | |
| SCHEMBL28192750 | 0.75 | AKR1C3 (0.52) | AKR1C2MAPTMEN1KMT2ANPC1 |
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-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |