Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 2/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1465571 | 0.78 | ALDH1A1 (0.40) | HTTTP53ALDH1A1MAPTAKR1B1 | |
| SCHEMBL12501374 | 0.71 | APEX1 (0.51) | FBP1APEX1ALDH1A1KMT2ACYP1A2 | |
| SCHEMBL30856079 | 0.70 | MAOA (0.45) | APEX1HTTTP53ALDH1A1MAPT | |
| SCHEMBL12501380 | 0.68 | APEX1 (0.51) | FBP1APEX1ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL12501291 | 0.68 | ALDH1A1 (0.56) | FBP1APEX1HTTALDH1A1MAPT | |
| SCHEMBL2919368 | 0.67 | MAPT (0.42) | HTTTP53ALDH1A1MAPTAKR1B1 | |
| SCHEMBL11420063 | 0.66 | ALDH1A1 (0.49) | HTTTP53ALDH1A1MAPTKMT2A | |
| SCHEMBL13956351 | 0.65 | L3MBTL1 (0.61) | HTTTP53ALDH1A1MAPTKMT2A | |
| SCHEMBL14651329 | 0.65 | KMT2A (0.47) | FBP1APEX1HTTALDH1A1KMT2A | |
| SCHEMBL1466537 | 0.65 | XDH (0.41) | HTTALDH1A1MAPTKMT2ASMN1; 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 |
|---|---|---|---|---|---|---|---|
| EP-2007756-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmceuticals Incorporated (US) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007117715-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-10-18 | — | — | WO | disclosed |