Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 2/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MME | P08473 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL4729447 | 0.82 | NPC1 (0.54) | MTNR1AMTNR1BL3MBTL1NPC1ALDH1A1 | |
| SCHEMBL11142380 | 0.82 | NPC1 (0.54) | MTNR1AMTNR1BL3MBTL1NPC1ALDH1A1 | |
| SCHEMBL3951056 | 0.80 | NPC1 (0.53) | MTNR1AMTNR1BL3MBTL1NPC1ALDH1A1 | |
| SCHEMBL6265387 | 0.78 | NPC1 (0.50) | MTNR1AMTNR1BL3MBTL1NPC1ALDH1A1 | |
| SCHEMBL974306 | 0.77 | RAB9A (0.67) | MTNR1AMTNR1BNPC1ALDH1A1RAB9A | |
| SCHEMBL974305 | 0.77 | RAB9A (0.67) | MTNR1AMTNR1BNPC1ALDH1A1RAB9A | |
| SCHEMBL13123964 | 0.76 | MME (0.54) | MTNR1AMTNR1BL3MBTL1NPC1ALDH1A1 | |
| SCHEMBL6974614 | 0.73 | LMNA (0.52) | MTNR1AMTNR1BL3MBTL1NPC1ALDH1A1 | |
| SCHEMBL13123603 | 0.73 | MTNR1A (0.45) | MTNR1AMTNR1BL3MBTL1NPC1ALDH1A1 | |
| SCHEMBL6630042 | 0.71 | AKR1C3 (0.50) | MTNR1AMTNR1BL3MBTL1NPC1ALDH1A1 |
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-2844642-A1 | COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS | ARIAD PHARMACEUTICALS, INC. (US) | 2015-03-11 | — | — | EP | disclosed |
| WO-2013169401-A1 | COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS | ARIAD PHARMACEUTICALS, INC. (US) | 2013-11-14 | — | — | WO | disclosed |