Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN2A | Q99250 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.38 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.37 |
| ▸ | SCN10A | Q9Y5Y9 | 3/20 | 0.37 |
| ▸ | SCN1A | P35498 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MGMT | P16455 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7389114 | 0.75 | SCN2A (0.53) | SCN2AALDH1A1DHFRSCN9ASCN3A | |
| SCHEMBL7272879 | 0.74 | ALDH1A1 (0.47) | SCN2AALDH1A1TSHRDHFRNCOA1 | |
| SCHEMBL22400834 | 0.74 | MGMT (0.43) | ALDH1A1DHFRNCOA1NCOA3MAPT | |
| SCHEMBL7387066 | 0.71 | SCN2A (0.49) | SCN2AALDH1A1TSHRSCN9ASCN3A | |
| SCHEMBL30413401 | 0.71 | SCN9A (0.61) | SCN2AALDH1A1SCN9ASCN3ASCN10A | |
| SCHEMBL978226 | 0.71 | SCN9A (0.61) | SCN2AALDH1A1SCN9ASCN3ASCN10A | |
| SCHEMBL3955746 | 0.69 | MGMT (0.44) | ALDH1A1TSHRDHFRNCOA1NCOA3 | |
| SCHEMBL9848571 | 0.69 | SCN9A (0.48) | SCN2AALDH1A1TSHRDHFRNCOA1 | |
| SCHEMBL9640554 | 0.69 | MGMT (0.49) | ALDH1A1MAPTRAB9ASMN1; SMN2KMT2A | |
| SCHEMBL6224993 | 0.68 | DHFR (0.48) | ALDH1A1TSHRDHFRMAPTMEN1 |
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-0459830-A1 | Pharmacologically active CNS compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | claimed |
| EP-0459830-A1 | Pharmacologically active CNS compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | disclosed |