Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.54 |
| ▸ | TYR | P14679 | 3/20 | 0.47 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1400639 | 0.89 | ESR1 (0.51) | ESR1ESR2FFAR4MEN1KMT2A | |
| SCHEMBL9797614 | 0.86 | TYR (0.61) | ESR1ESR2TYRMEN1KMT2A | |
| SCHEMBL19436821 | 0.85 | ESR1 (0.53) | ESR1ESR2TYRMEN1KMT2A | |
| SCHEMBL673962 | 0.84 | CYP2D6 (0.57) | ESR1ESR2TYRMEN1KMT2A | |
| SCHEMBL31621158 | 0.84 | KLF10 (0.62) | ESR1ESR2TYRMEN1KMT2A | |
| SCHEMBL5082027 | 0.84 | KLF10 (0.62) | ESR1ESR2TYRMEN1KMT2A | |
| SCHEMBL178283 | 0.82 | ESR1 (0.69) | ESR1ESR2FFAR4MEN1KMT2A | |
| SCHEMBL8737327 | 0.82 | ESR1 (0.47) | ESR1ESR2TYRMEN1KMT2A | |
| SCHEMBL8737331 | 0.82 | ESR1 (0.47) | ESR1ESR2TYRMEN1KMT2A | |
| SCHEMBL1269961 | 0.81 | ESR1 (0.53) | ESR1ESR2TYRMEN1KMT2A |
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 |
| 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-102652128-A | 4-Oxo-1H-quinoline-3-carboxamides as modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2012-08-29 | — | — | CN | disclosed |
| CN-101006076-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2010-09-29 | — | — | CN | disclosed |
| CN-101006076-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2007-07-25 | — | — | CN | disclosed |