Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 2/20 | 0.36 |
| ▸ | RIN1 | Q13671 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12472163 | 1.00 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL12471799 | 0.93 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL12471796 | 0.93 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL12472673 | 0.89 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL12472675 | 0.89 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL11901248 | 0.85 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL11901249 | 0.85 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL12472949 | 0.83 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL12472950 | 0.83 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL12472340 | 0.81 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD |
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-2673269-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-12-18 | — | — | EP | disclosed |
| WO-2012107465-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-16 | — | — | WO | disclosed |