Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 2/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 13/20 | 0.43 |
| ▸ | MME | P08473 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2332506 | 1.00 | TGFBR1 (0.47) | TGFBR1EPHX1ACHEMMEALDH1A1 | |
| SCHEMBL1840799 | 1.00 | TGFBR1 (0.47) | TGFBR1EPHX1ACHEMMEALDH1A1 | |
| SCHEMBL9854740 | 0.93 | EPHX1 (0.54) | TGFBR1EPHX1ACHE | |
| SCHEMBL8658518 | 0.93 | EPHX1 (0.54) | TGFBR1EPHX1ACHE | |
| SCHEMBL7769025 | 0.93 | EPHX1 (0.54) | TGFBR1EPHX1ACHE | |
| SCHEMBL7769026 | 0.93 | EPHX1 (0.54) | TGFBR1EPHX1ACHE | |
| SCHEMBL8657701 | 0.93 | EPHX1 (0.54) | TGFBR1EPHX1ACHE | |
| SCHEMBL12354490 | 0.89 | TGFBR1 (0.50) | TGFBR1ACHEMMEALDH1A1 | |
| SCHEMBL5426414 | 0.89 | ACE (0.42) | TGFBR1EPHX1ACHEMME | |
| SCHEMBL480292 | 0.88 | EPHX1 (0.46) | EPHX1ACHEALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1664001-A2 | BIARYL HETEROCYCLIC AMINES, AMIDES, AND SULFUR-CONTAINING COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | Rib-X Pharmaceuticals, Inc. (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005012270-A2 | BIARYL HETEROCYCLIC AMINES, AMIDES, AND SULFUR-CONTAINING COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | RIB-X PHARMACEUTICALS, INC. (US) | 2005-02-10 | — | — | WO | disclosed |
| WO-2004083173-A2 | KETOPIPERAZINE DERIVATIVES AS BRADYKININ ANTAGONISTS | MERCK & CO., INC. (US) | 2004-09-30 | — | — | WO | disclosed |
| WO-1994019367-A1 | SPIRO PIPERIDINES AND HOMOLOGS PROMOTE RELEASE OF GROWTH HORMONE | MERCK & CO., INC. (US) | 1994-09-01 | — | — | WO | disclosed |
| WO-1994013696-A1 | SPIRO PIPERIDINES AND HOMOLOGS WHICH PROMOTE RELEASE OF GROWTH HORMONE | MERCK & CO., INC. (US) | 1994-06-23 | — | — | WO | disclosed |