Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 2/20 | 0.33 |
| ▸ | ATP4A | P20648 | 2/20 | 0.32 |
| ▸ | ATP4B | P51164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1721763 | 0.84 | ENPP2 (0.40) | MAPTALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2033015 | 0.83 | ASIC3 (0.43) | MAPTALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1684447 | 0.76 | SLC2A1 (0.44) | MAPTALDH1A1CYP1A2KDM4E | |
| SCHEMBL1723482 | 0.70 | ALDH1A1 (0.43) | MAPTALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8090460 | 0.69 | ASIC3 (0.60) | MAPTALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1684444 | 0.65 | CA2 (0.61) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL2558010 | 0.62 | NPC1 (0.46) | MAPTALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14457583 | 0.60 | CA1 (0.44) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL1684377 | 0.60 | SERPINH1 (0.43) | MAPTALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3628069 | 0.60 | NPC1 (0.61) | MAPTALDH1A1NPC1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2395002-B1 | PHARMACEUTICAL COMPOSITION CONTAINING A HETEROCYCLIC MODULATOR OF ATP-BINDING CASSETTE TRANSPORTERS. | VERTEX PHARMA (US) | 2014-06-18 | — | — | EP | disclosed |
| EP-2404919-B1 | Heterocyclic compound useful as a modulator of ATP-binding cassette transporters. | VERTEX PHARMA (US) | 2013-08-21 | — | — | EP | disclosed |
| EP-2404919-A1 | Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters. | Vertex Pharmaceuticals Incorporated (US) | 2012-01-11 | — | — | EP | disclosed |