Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 3/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.44 |
| ▸ | RELA | Q04206 | 3/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4910405 | 1.00 | NFKB1 (0.44) | NFKB1NFKB2RELAABCB1ALDH1A1 | |
| SCHEMBL18045102 | 0.87 | NFKB1 (0.48) | NFKB1NFKB2RELAKMT2AGAA | |
| SCHEMBL18045101 | 0.87 | NFKB1 (0.48) | NFKB1NFKB2RELAKMT2AGAA | |
| SCHEMBL4906932 | 0.82 | NFKB1 (0.49) | NFKB1NFKB2RELAKMT2AGAA | |
| SCHEMBL4906940 | 0.82 | NFKB1 (0.49) | NFKB1NFKB2RELAKMT2AGAA | |
| SCHEMBL28596171 | 0.72 | NFKB1 (0.47) | NFKB1NFKB2RELAALDH1A1MEN1 | |
| SCHEMBL15424788 | 0.72 | NFKB1 (0.50) | NFKB1NFKB2RELAABCB1ALDH1A1 | |
| SCHEMBL15471468 | 0.72 | NFKB1 (0.50) | NFKB1NFKB2RELAABCB1ALDH1A1 | |
| SCHEMBL17188583 | 0.70 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2ATSHRGAA | |
| SCHEMBL13267825 | 0.70 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2ATSHRGAA |
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-0145875-B1 | GAMMA-AMINOBUTYRIC ACID TRANSAMINASE INHIBITORS AND PROCESSES FOR THEIR PREPARATION | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-02-19 | — | — | EP | disclosed |
| EP-0145875-A2 | Gamma-aminobutyric acid transaminase inhibitors and processes for their preparation | MERRELL DOW PHARMACEUTICALS INC. (US) | 1985-06-26 | — | — | EP | disclosed |
| US-4520028-A | ANTIEPILEPTIC AGENTS; NERVOUS SYSTEM DISORDERS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1985-05-28 | — | — | US | disclosed |