Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | GRM5 | P41594 | 1/20 | 0.45 |
| ▸ | PLA2G4B | P0C869 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL476827 | 0.90 | TSHR (0.61) | NPC1TSHRMAPTALDH1A1RAB9A | |
| Formaldehyde SCHEMBL8658362 | 0.86 | TSHR (0.56) | NPC1TSHRMAPTALDH1A1RAB9A | |
| SCHEMBL5517752 | 0.83 | NPC1 (0.55) | NPC1TSHRMAPTALDH1A1RAB9A | |
| SCHEMBL6702666 | 0.82 | TSHR (0.56) | NPC1TSHRMAPTALDH1A1RAB9A | |
| SCHEMBL126148 | 0.82 | NPC1 (0.55) | NPC1TSHRMAPTALDH1A1RAB9A | |
| SCHEMBL23258691 | 0.81 | ALDH1A1 (0.55) | NPC1TSHRMAPTALDH1A1RAB9A | |
| SCHEMBL21962241 | 0.81 | TSHR (0.54) | NPC1TSHRMAPTALDH1A1RAB9A | |
| SCHEMBL9956104 | 0.81 | TSHR (0.54) | NPC1TSHRMAPTALDH1A1RAB9A | |
| SCHEMBL7127691 | 0.80 | PLA2G4B (0.63) | NPC1ALDH1A1RAB9ASMN1; SMN2PLA2G4B | |
| SCHEMBL9622282 | 0.80 | NPC1 (0.52) | NPC1TSHRMAPTALDH1A1RAB9A |
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-2844642-B1 | COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS | ARIAD PHARMA INC (US) | 2019-11-13 | — | — | EP | disclosed |
| US-9834518-B2 | Compounds for inhibiting cell proliferation in EGFR-driven cancers | ARIAD PHARMACEUTICALS, INC. (US) | 2017-12-05 | — | — | US | disclosed |
| US-9834571-B2 | Compounds for inhibiting cell proliferation in EGFR-driven cancers | ARIAD PHARMACEUTICALS, INC. (US) | 2017-12-05 | — | — | US | disclosed |
| US-6528531-B1 | Coccidiosis in poultry; | MERCK & CO., INC. | 2003-03-04 | — | — | US | disclosed |