Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | AKT1 | P31749 | 4/20 | 0.44 |
| ▸ | AKT2 | P31751 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 11/20 | 0.41 |
| ▸ | CGAS | Q8N884 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15730476 | 0.78 | GAA (0.58) | NPC1ALDH1A1RAB9AMEN1KMT2A | |
| SCHEMBL17113969 | 0.78 | AKT2 (0.54) | NPC1ALDH1A1RAB9AMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL18128849 | 0.77 | GAA (0.56) | NPC1ALDH1A1RAB9AMEN1KMT2A | |
| SCHEMBL18776373 | 0.75 | AKT1 (0.58) | NPC1ALDH1A1RAB9AMEN1KMT2A | |
| SCHEMBL15716924 | 0.75 | NPC1 (0.64) | NPC1ALDH1A1RAB9AMEN1KMT2A | |
| SCHEMBL24798475 | 0.74 | AKT1 (0.41) | ALDH1A1MEN1KMT2ASMN1; SMN2AKT1 | |
| Hydrochloric Acid SCHEMBL18128814 | 0.73 | NPC1 (0.62) | NPC1ALDH1A1RAB9AMEN1KMT2A | |
| SCHEMBL17114242 | 0.72 | AKT1 (0.60) | NPC1ALDH1A1RAB9ASMN1; SMN2AKT1 | |
| SCHEMBL25417148 | 0.70 | AKT1 (0.61) | NPC1ALDH1A1RAB9ASMN1; SMN2AKT1 | |
| SCHEMBL12781598 | 0.70 | GAA (0.54) | NPC1ALDH1A1RAB9AMEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3122345-B1 | TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | MERCK SHARP & DOHME (US) | 2020-12-16 | — | — | EP | disclosed |