Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29086538 | 0.78 | TDP1 (0.73) | TDP1ALDH1A1KMT2AKEAP1L3MBTL1 | |
| SCHEMBL8772358 | 0.78 | TDP1 (0.58) | TDP1ALDH1A1KMT2AKEAP1L3MBTL1 | |
| SCHEMBL4001181 | 0.76 | ALDH1A1 (0.46) | TDP1ALDH1A1KMT2AKEAP1L3MBTL1 | |
| SCHEMBL27839288 | 0.75 | TDP1 (0.63) | TDP1ALDH1A1KMT2AKEAP1L3MBTL1 | |
| SCHEMBL1838210 | 0.75 | TDP1 (0.63) | TDP1ALDH1A1KMT2AKEAP1L3MBTL1 | |
| SCHEMBL305427 | 0.74 | TDP1 (0.50) | TDP1ALDH1A1KMT2AL3MBTL1MAPT | |
| SCHEMBL9063649 | 0.74 | TDP1 (0.61) | TDP1ALDH1A1KMT2AKEAP1L3MBTL1 | |
| SCHEMBL28363992 | 0.74 | TDP1 (0.61) | TDP1ALDH1A1KMT2AKEAP1L3MBTL1 | |
| SCHEMBL1380801 | 0.74 | TDP1 (0.61) | TDP1ALDH1A1KMT2AKEAP1L3MBTL1 | |
| SCHEMBL31386976 | 0.73 | ALDH1A1 (0.43) | ALDH1A1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0492350-B1 | Process for the production of (S)-vinyl and (S) allenyl gaba | MERRELL PHARMA INC (US) | 1997-10-15 | — | — | EP | disclosed |
| US-5208345-A | Substituted Pyrrolidinone Derivatives as Intermediates Optical Isomers | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-05-04 | — | — | US | disclosed |
| EP-0492350-A1 | Process for the production of (S)-vinyl and (S) allenyl gaba | MERRELL PHARMACEUTICALS INC. (US) | 1992-07-01 | — | — | EP | disclosed |