Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3398266 | 1.00 | ALDH1A1 (0.59) | ALDH1A1MAPK1LMNAHSD17B10GLA | |
| SCHEMBL14067196 | 1.00 | ALDH1A1 (0.59) | ALDH1A1MAPK1LMNAHSD17B10GLA | |
| SCHEMBL2350150 | 0.88 | GAA (0.50) | ALDH1A1MAPK1LMNAHSD17B10GLA | |
| SCHEMBL10292166 | 0.84 | ALDH1A1 (0.49) | ALDH1A1MAPK1LMNAKDM4EMAPT | |
| SCHEMBL7362051 | 0.84 | ALDH1A1 (0.58) | ALDH1A1MAPK1LMNAHSD17B10GLA | |
| SCHEMBL1595209 | 0.84 | ALDH1A1 (0.58) | ALDH1A1MAPK1LMNAHSD17B10GLA | |
| SCHEMBL13629810 | 0.84 | ALDH1A1 (0.49) | ALDH1A1MAPK1LMNAKDM4EMAPT | |
| SCHEMBL25363482 | 0.82 | ALDH1A1 (0.57) | ALDH1A1MAPK1LMNAHSD17B10GLA | |
| SCHEMBL2224391 | 0.82 | ALDH1A1 (0.57) | ALDH1A1MAPK1LMNAHSD17B10GLA | |
| SCHEMBL1344119 | 0.82 | ALDH1A1 (0.51) | ALDH1A1MAPK1HSD17B10KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-8394789-B2 | (Dihydro)pyrrolo[2,1-α]isoquinolines | MSD OSS B.V. (NL) | 2013-03-12 | — | — | US | disclosed |
| EP-2252611-A1 | (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES | N.V. Organon (NL) | 2010-11-24 | — | — | EP | disclosed |
| WO-2009098283-A1 | (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES | N.V. ORGANON (NL) | 2009-08-13 | — | — | WO | disclosed |