Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 4/20 | 0.41 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.39 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5565633 | 0.82 | ALDH1A1 (0.47) | MAPTKMT2AKDM4ECYP1A2CYP2D6 | |
| SCHEMBL14407231 | 0.82 | ALDH1A1 (0.47) | MAPTKMT2AKDM4ECYP1A2CYP2D6 | |
| SCHEMBL17614902 | 0.81 | MAPT (0.45) | MAPTKMT2AKDM4ECYP1A2CYP2D6 | |
| SCHEMBL27544581 | 0.80 | MAPT (0.50) | MAPTKMT2AKDM4ECYP1A2CYP2D6 | |
| SCHEMBL14407214 | 0.80 | KDM4E (0.44) | KMT2AKDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10761454 | 0.80 | KDM4E (0.44) | KMT2AKDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL27498587 | 0.79 | VCAM1 (0.45) | MAPTKMT2AKDM4ECYP1A2CYP2D6 | |
| SCHEMBL16135451 | 0.77 | MAPT (0.46) | MAPTKMT2AKDM4EHSD17B10CACNA1C | |
| SCHEMBL27693463 | 0.77 | MAPT (0.46) | MAPTKMT2AKDM4EHSD17B10CACNA1C | |
| SCHEMBL27497241 | 0.76 | VCAM1 (0.45) | MAPTKMT2AKDM4ECYP1A2CYP2D6 |
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 9 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 |
| CN-101891680-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-10-29 | — | — | CN | disclosed |
| CN-103641765-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2014-03-19 | — | — | CN | disclosed |
| CN-101935301-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2013-10-16 | — | — | CN | disclosed |
| CN-103254177-A | Modulators of atp-binding cassette transporters | VERTEX PHARMA | 2013-08-21 | — | — | CN | disclosed |
| CN-102272128-A | Modulators of atp-binding cassette transporters | — | 2011-12-07 | — | — | CN | disclosed |
| CN-101006076-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2010-09-29 | — | — | CN | disclosed |
| CN-101460489-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2009-06-17 | — | — | CN | disclosed |
| CN-101006076-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2007-07-25 | — | — | CN | disclosed |