Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.41 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4897236 | 0.97 | CFTR (0.49) | CFTRMEN1KMT2ATDP1ROCK2 | |
| SCHEMBL7363737 | 0.88 | LMNA (0.49) | CFTRMEN1KMT2AROCK2ROCK1 | |
| SCHEMBL7364197 | 0.87 | TP53 (0.46) | MEN1KMT2AROCK2ROCK1ALDH1A1 | |
| SCHEMBL8049526 | 0.87 | KDM4E (0.42) | ROCK2ROCK1ALDH1A1KDM4EHTT | |
| SCHEMBL7393617 | 0.86 | NHERF1 (0.46) | CFTRMEN1KMT2AROCK2ROCK1 | |
| SCHEMBL7364883 | 0.85 | LMNA (0.46) | CFTRMEN1KMT2AROCK2ROCK1 | |
| SCHEMBL7361057 | 0.85 | POLB (0.46) | MEN1KMT2ATDP1ALDH1A1HPGD | |
| SCHEMBL8038852 | 0.85 | ALDH1A1 (0.48) | MEN1KMT2AALDH1A1HPGDKDM4E | |
| SCHEMBL7360138 | 0.84 | LMNA (0.43) | MEN1KMT2AROCK2ROCK1HPGD | |
| SCHEMBL7397423 | 0.84 | NPC1 (0.44) | MEN1KMT2AROCK2ROCK1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998002420-A9 | CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | — | 1998-04-23 | — | — | WO | claimed |
| WO-1998002420-A1 | CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1998-01-22 | — | — | WO | claimed |
| WO-1998002420-A9 | CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | — | 1998-04-23 | — | — | WO | disclosed |
| WO-1998002420-A1 | CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1998-01-22 | — | — | WO | disclosed |