Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.85 |
| ▸ | RAB9A | P51151 | 2/20 | 0.85 |
| ▸ | GAA | P10253 | 1/20 | 0.77 |
| ▸ | MAPT | P10636 | 5/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.70 |
| ▸ | HPGD | P15428 | 1/20 | 0.70 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.70 |
| ▸ | CA1 | P00915 | 1/20 | 0.70 |
| ▸ | CA2 | P00918 | 1/20 | 0.70 |
| ▸ | CA7 | P43166 | 1/20 | 0.70 |
| ▸ | CA9 | Q16790 | 1/20 | 0.70 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.70 |
| ▸ | MEN1 | O00255 | 2/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.69 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.68 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.68 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.68 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL29356619 | 0.95 | ALDH1A1 (0.77) | NPC1RAB9AGAAMAPTALDH1A1 | |
| SCHEMBL6270935 | 0.95 | ALDH1A1 (0.77) | NPC1RAB9AGAAMAPTALDH1A1 | |
| SCHEMBL14252956 | 0.92 | SMN1; SMN2 (0.77) | NPC1RAB9AGAAMAPTALDH1A1 | |
| SCHEMBL9312655 | 0.92 | NPC1 (1.00) | NPC1RAB9AGAAMAPTSMN1; SMN2 | |
| SCHEMBL7115429 | 0.90 | GAA (0.70) | NPC1RAB9AGAAMAPTALDH1A1 | |
| SCHEMBL28689186 | 0.88 | GAA (0.79) | NPC1RAB9AGAAMAPTALDH1A1 | |
| SCHEMBL4488518 | 0.88 | GAA (0.79) | NPC1RAB9AGAAMAPTALDH1A1 | |
| SCHEMBL30597452 | 0.88 | GAA (0.79) | NPC1RAB9AGAAMAPTALDH1A1 | |
| SCHEMBL11716101 | 0.88 | MTNR1B (0.68) | NPC1RAB9AGAAMAPTALDH1A1 | |
| SCHEMBL11717434 | 0.88 | NPC1 (0.66) | NPC1RAB9AGAAMAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4885313-A | 3,4-Dihydroxyphenylethylamine derivatives and their use | FISONS PLC (GB) | 1989-12-05 | — | — | US | disclosed |
| US-4803225-A | Dihydroxy-phenethylamino compounds useful as pharmaceuticals | FISONS, PLC (GB) | 1989-02-07 | — | — | US | disclosed |
| US-4720586-A | Substituted 3,4-dihydroxy-phenylethylamino compounds | FISONS, PLC (GB) | 1988-01-19 | — | — | US | disclosed |
| EP-0142283-A2 | Phenylethylamines, process for their preparation and compositions containing them | FISONS plc (GB) | 1985-05-22 | — | — | EP | disclosed |