Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6045415 | 1.00 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C19THPORAB9A | |
| SCHEMBL6045414 | 1.00 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C19THPORAB9A | |
| SCHEMBL12530396 | 0.82 | TRPV1 (0.40) | CYP1A2CYP2D6CYP2C19THPORAB9A | |
| SCHEMBL5873407 | 0.81 | CES2 (0.45) | CYP2D6CYP2C19LMNA | |
| SCHEMBL5873408 | 0.81 | CES2 (0.45) | CYP2D6CYP2C19LMNA | |
| SCHEMBL6045232 | 0.80 | TPMT (0.36) | IDO1FAAH | |
| SCHEMBL13005770 | 0.80 | TPMT (0.36) | IDO1FAAH | |
| SCHEMBL6045235 | 0.80 | TPMT (0.36) | IDO1FAAH | |
| SCHEMBL5166757 | 0.72 | TRPV1 (0.44) | CYP1A2CYP2D6CYP2C19THPORAB9A | |
| SCHEMBL13005774 | 0.71 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C19IDO1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7851637-B2 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY PHARMACEUTICALS, INC. (US) | 2010-12-14 | — | — | US | disclosed |
| US-7851637-B2 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY PHARMACEUTICALS, INC. (US) | 2010-12-14 | — | — | US | disclosed |