Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.52 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | PKM | P14618 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | FLT3 | P36888 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | CSF1R | P07333 | 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 | |
|---|---|---|---|---|
| SCHEMBL2358322 | 0.76 | SORT1 (0.53) | HCRTR2HCRTR1 | |
| SCHEMBL28046546 | 0.74 | HCRTR1 (0.56) | HCRTR2HCRTR1 | |
| SCHEMBL1586336 | 0.73 | HCRTR1 (0.55) | HCRTR2HCRTR1 | |
| SCHEMBL2355558 | 0.72 | HCRTR1 (0.54) | HCRTR2HCRTR1 | |
| SCHEMBL2358573 | 0.69 | TRPA1 (0.48) | HCRTR2HCRTR1 | |
| SCHEMBL2359300 | 0.69 | BRAF (0.45) | LMNAHCRTR2HCRTR1MAPK1MAPT | |
| SCHEMBL2363877 | 0.69 | ALDH1A1 (0.43) | NPC1RAB9AHTTLMNAHCRTR2 | |
| SCHEMBL5417313 | 0.69 | SMN1; SMN2 (0.60) | NPC1RAB9ASMN1; SMN2PKMTSHR | |
| SCHEMBL2357650 | 0.68 | CSF1R (0.48) | HCRTR2HCRTR1FLT3BRAFCSF1R | |
| SCHEMBL2357713 | 0.68 | HCRTR1 (0.42) | HCRTR2HCRTR1 |
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 |