Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13731696 | 0.95 | RAB9A (0.46) | RAB9ANPC1CYP2C19LMNACYP3A4 | |
| SCHEMBL15772586 | 0.90 | BRD4 (0.44) | RAB9ANPC1CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL15771845 | 0.88 | NPC1 (0.41) | RAB9ANPC1CYP2C19CYP3A4CNR2 | |
| SCHEMBL15771839 | 0.85 | NPC1 (0.45) | RAB9ANPC1EPHX1GAAKDM4E | |
| SCHEMBL15771840 | 0.85 | NPC1 (0.45) | RAB9ANPC1EPHX1GAAKDM4E | |
| SCHEMBL13729764 | 0.81 | NPC1 (0.49) | RAB9ANPC1HPGDLMNAGAA | |
| SCHEMBL15772516 | 0.80 | NPC1 (0.41) | RAB9ANPC1KDM4EKMT2AALDH1A1 | |
| SCHEMBL15772515 | 0.80 | NPC1 (0.41) | RAB9ANPC1KDM4EKMT2AALDH1A1 | |
| SCHEMBL13728858 | 0.78 | SMN1; SMN2 (0.41) | RAB9ANPC1HPGDCYP2C19LMNA | |
| SCHEMBL15956851 | 0.77 | CYP2C9 (0.37) | RAB9ANPC1CYP2C19LMNACYP3A4 |
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 |