Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 11/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 10/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.39 |
| ▸ | FPR2 | P25090 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28046546 | 0.74 | HCRTR1 (0.56) | HCRTR1HCRTR2 | |
| SCHEMBL1586336 | 0.73 | HCRTR1 (0.55) | HCRTR1HCRTR2 | |
| SCHEMBL2355558 | 0.72 | HCRTR1 (0.54) | HCRTR1HCRTR2 | |
| SCHEMBL2359008 | 0.69 | HCRTR1 (0.41) | HCRTR1HCRTR2 | |
| SCHEMBL2358573 | 0.69 | TRPA1 (0.48) | HCRTR1HCRTR2 | |
| SCHEMBL2359300 | 0.69 | BRAF (0.45) | HCRTR1HCRTR2LMNAMAPT | |
| SCHEMBL2358684 | 0.69 | NPC1 (0.52) | ALDH1A1HTTNPC1RAB9AHCRTR1 | |
| SCHEMBL2358322 | 0.68 | SORT1 (0.53) | HCRTR1HCRTR2 | |
| SCHEMBL2357713 | 0.68 | HCRTR1 (0.42) | HCRTR1HCRTR2 | |
| SCHEMBL4285419 | 0.67 | NPC1 (0.69) | ALDH1A1HTTNPC1RAB9ALMNA |
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-2350052-A2 | ANTIPROLIFERATIVE COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2011-08-03 | — | — | EP | claimed |
| WO-2010034838-A2 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-01 | — | — | WO | claimed |