Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | GAA | P10253 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4749285 | 0.90 | HPGD (0.68) | CYP19A1MAPTALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL8512504 | 0.88 | GAA (0.54) | CYP19A1MAPTGAATDP1ALDH1A1 | |
| SCHEMBL9607477 | 0.88 | GAA (0.54) | CYP19A1MAPTGAATDP1ALDH1A1 | |
| SCHEMBL20195801 | 0.85 | KDM4E (0.51) | CYP19A1MAPTGAATDP1ALDH1A1 | |
| SCHEMBL18549331 | 0.85 | MAPT (0.49) | CYP19A1MAPTALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL2488639 | 0.82 | MAPT (0.70) | CYP19A1MAPTGAATDP1ALDH1A1 | |
| SCHEMBL13381411 | 0.82 | ALDH1A1 (0.56) | CYP19A1MAPTGAATDP1ALDH1A1 | |
| SCHEMBL6391622 | 0.82 | ALDH1A1 (0.58) | CYP19A1MAPTGAAALDH1A1SMN1; SMN2 | |
| SCHEMBL7488992 | 0.82 | MAPT (0.49) | CYP19A1MAPTGAATDP1ALDH1A1 | |
| SCHEMBL11801755 | 0.82 | MAPT (0.49) | CYP19A1MAPTGAATDP1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3216787-B1 | INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2020-02-19 | — | — | EP | disclosed |
| EP-2502911-B1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2017-04-05 | — | — | EP | disclosed |