Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13365075 | 0.85 | TSHR (0.42) | CYP3A4TSHRHSD17B10APPCYP2C19 | |
| SCHEMBL30223691 | 0.84 | APP (0.55) | CYP3A4TSHRHSD17B10ALDH1A1TDP1 | |
| SCHEMBL1465484 | 0.84 | APP (0.55) | CYP3A4TSHRHSD17B10ALDH1A1TDP1 | |
| SCHEMBL19753154 | 0.80 | CYP3A4 (0.37) | CYP3A4TSHRHSD17B10ALDH1A1TDP1 | |
| SCHEMBL20195024 | 0.78 | CYP3A4 (0.36) | CYP3A4TSHRHSD17B10ALDH1A1TDP1 | |
| SCHEMBL17713206 | 0.77 | AKR1C1 (0.53) | CYP3A4TSHRAPPCYP2C19AKR1C3 | |
| SCHEMBL19753152 | 0.76 | SLC6A4 (0.40) | CYP3A4TSHRHSD17B10ALDH1A1TDP1 | |
| SCHEMBL18213720 | 0.75 | LMNA (0.42) | HSD17B10ALDH1A1 | |
| SCHEMBL11959487 | 0.74 | ESR2 (0.46) | CYP3A4HSD17B10ALDH1A1TDP1APP | |
| SCHEMBL10110050 | 0.72 | CCR2 (0.42) | ALDH1A1CYP2C19AKR1C3AKR1C2AKR1C1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3882245-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2021-09-22 | — | — | EP | disclosed |
| EP-3327016-B1 | PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2021-06-16 | — | — | EP | disclosed |
| EP-3327016-A1 | PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2018-05-30 | — | — | EP | disclosed |
| WO-2007117715-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-10-18 | — | — | WO | disclosed |