Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6273082 | 0.84 | TAAR1 (0.64) | ALDH1A1SMN1; SMN2KMT2ACHRM5CHRM3 | |
| SCHEMBL6277045 | 0.81 | NPC1 (0.62) | CA12CA2CA9ALDH1A1MAPT | |
| SCHEMBL7265002 | 0.80 | CA12 (0.73) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL3279938 | 0.80 | ALDH1A1 (0.68) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL793345 | 0.76 | KMT2A (0.68) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL8372977 | 0.75 | ALDH1A1 (0.55) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL2862824 | 0.75 | GAA (0.53) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL10359474 | 0.75 | CA12 (0.73) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL8099685 | 0.75 | CA1 (0.73) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL2224069 | 0.75 | CA12 (0.73) | CA12CA1CA2CA9ALDH1A1 |
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-1581490-A1 | SUBSTITUTED 5-AMINOMETHYL-1H-PYRROLE-2-CARBOXAMIDES | Grünenthal GmbH (DE) | 2005-10-05 | — | — | EP | disclosed |
| WO-2004058707-A1 | SUBSTITUTED 5-AMINOMETHYL-1H-PYRROLE-2-CARBOXAMIDES | Grünenthal GmbH (DE) | 2004-07-15 | — | — | WO | disclosed |