Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 5/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13362359 | 0.82 | CFTR (0.31) | CFTR | |
| SCHEMBL28634804 | 0.69 | KDM4E (0.32) | KDM4ESMN1; SMN2MAPTALDH1A1NPC1 | |
| SCHEMBL14845711 | 0.67 | MAPT (0.36) | CFTRKDM4EMEN1KMT2AMAPT | |
| SCHEMBL12827234 | 0.67 | CFTR (0.36) | CFTRALDH1A1CYP1A2CYP2C9NR1I2 | |
| SCHEMBL12827351 | 0.65 | CFTR (0.35) | CFTRMAPTNR1I2POLB | |
| SCHEMBL17793953 | 0.63 | CFTR (0.41) | CFTRHTR2A | |
| SCHEMBL10066236 | 0.63 | CFTR (0.48) | CFTRHTR2A | |
| SCHEMBL17627894 | 0.62 | TP53 (0.39) | TP53KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL23278440 | 0.59 | CFTR (0.31) | CFTR | |
| SCHEMBL20505217 | 0.59 | SMN1; SMN2 (0.34) | TP53KDM4ESMN1; SMN2MEN1KMT2A |
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-2362874-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2011-09-07 | — | — | EP | disclosed |
| WO-2010053471-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-14 | — | — | WO | disclosed |
| WO-2010054138-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 2010-05-14 | — | — | WO | disclosed |