Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | PLEC | Q15149 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 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 | |
|---|---|---|---|---|
| SCHEMBL27675193 | 0.90 | GABRP (0.34) | MCHR1KDM4EALDH1A1GAAMAPT | |
| SCHEMBL398694 | 0.80 | BRD4 (0.38) | MCHR1CFTRPRKCIKDM4EMAPT | |
| SCHEMBL22897721 | 0.80 | ALDH1A1 (0.40) | CFTRALDH1A1GFERS100B | |
| SCHEMBL27797704 | 0.78 | CYP1A2 (0.42) | ALDH1A1MAPTPDK1 | |
| SCHEMBL6179410 | 0.73 | GAA (0.58) | KDM4EALDH1A1GAAMAPTTHRB | |
| SCHEMBL2858939 | 0.73 | ALDH1A1 (0.35) | KDM4EALDH1A1GAAMAPTGFER | |
| SCHEMBL11723702 | 0.71 | S100B (0.50) | KDM4EALDH1A1GAAMAPTTHRB | |
| SCHEMBL4015584 | 0.71 | ALDH1A1 (0.50) | KDM4EALDH1A1GAAMAPTHPGD | |
| SCHEMBL27693776 | 0.71 | KDM4E (0.36) | CFTRKDM4EALDH1A1MAPTGABRA1 | |
| SCHEMBL21586818 | 0.70 | HDAC1 (0.42) | KDM4EALDH1A1GAAMAPTTHRB |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104788328-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2015-07-22 | — | — | CN | disclosed |
| EP-2509954-A1 | 4 -OXO- 1H -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011072241-A1 | 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | WO | disclosed |
| CN-101935301-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2011-01-05 | — | — | CN | disclosed |
| CN-101891680-A | The adjusting control agent of ATP- combination cassette transporters | VERTEX PHARMA | 2010-11-24 | — | — | CN | disclosed |
| EP-1773816-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006002421-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-01-05 | — | — | WO | disclosed |