Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15771780 | 0.87 | KDM4E (0.37) | HPGD | |
| SCHEMBL15771781 | 0.87 | KDM4E (0.37) | HPGD | |
| SCHEMBL15772229 | 0.84 | ANPEP (0.33) | — | |
| SCHEMBL13729899 | 0.84 | CCNA2 (0.50) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL15771514 | 0.83 | — | — | |
| SCHEMBL15772230 | 0.82 | CYP1A2 (0.30) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13505897 | 0.81 | POLB (0.46) | NPC1POLBPKMRAB9ASMN1; SMN2 | |
| SCHEMBL13731301 | 0.81 | NPC1 (0.46) | NPC1POLBPKMHPGDRAB9A | |
| SCHEMBL13731431 | 0.80 | ALPL (0.44) | POLBHPGDRAB9ASMN1; SMN2 | |
| SCHEMBL13728858 | 0.80 | SMN1; SMN2 (0.41) | NPC1POLBPKMHPGDRAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2702061-B9 | PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS | ALMIRALL SA (ES) | 2016-02-24 | — | — | EP | disclosed |
| EP-2702061-B1 | PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS | ALMIRALL SA (ES) | 2015-07-29 | — | — | EP | disclosed |
| EP-2702061-A1 | PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS | Almirall S.A. (ES) | 2014-03-05 | — | — | EP | disclosed |
| WO-2012146666-A1 | PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS | ALMIRALL, S.A. (ES) | 2012-11-01 | — | — | WO | disclosed |