Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 7/20 | 0.48 |
| ▸ | TP53 | P04637 | 6/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2270503 | 0.83 | NPC1 (0.59) | CYP1A2CYP19A1CYP2C9CYP2C19MAPT | |
| SCHEMBL24307626 | 0.82 | NPC1 (0.58) | CYP1A2CYP19A1CYP2C9CYP2C19MAPT | |
| Ammonia Solution, Strong SCHEMBL28862474 | 0.82 | NPC1 (0.58) | CYP1A2CYP19A1CYP2C9CYP2C19MAPT | |
| SCHEMBL1672 | 0.80 | PTPN1 (0.56) | CYP1A2CYP19A1CYP2C9CYP2C19MAPT | |
| SCHEMBL28746964 | 0.80 | CYP1A2 (0.54) | CYP1A2CYP19A1CYP2C9CYP2C19MAPT | |
| SCHEMBL16373702 | 0.80 | ALDH1A1 (0.58) | CYP1A2CYP19A1CYP2C9CYP2C19MAPT | |
| SCHEMBL2272084 | 0.80 | CYP1A2 (0.54) | CYP1A2CYP19A1CYP2C9CYP2C19MAPT | |
| SCHEMBL7904001 | 0.80 | MAPT (0.64) | CYP1A2CYP19A1CYP2C9CYP2C19MAPT | |
| SCHEMBL354607 | 0.79 | RAB9A (0.61) | CYP1A2CYP19A1CYP2C9CYP2C19MAPT | |
| SCHEMBL11786351 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP19A1CYP2C9CYP2C19MAPT |
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-2804868-B1 | PYRAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2017-04-12 | — | — | EP | disclosed |
| WO-2010007756-A1 | PYRIDINE DERIVATIVE HAVING TTK INHIBITION ACTIVITY | 塩野義製薬株式会社 (JP) | 2010-01-21 | — | — | WO | disclosed |