Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | MASP2 | O00187 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL5598283 | 0.95 | BCHE (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL2201109 | 0.79 | KMT2A (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL2674802 | 0.76 | HTR2B (0.55) | NPC1RAB9AKDM4EHTR2BKMT2A | |
| SCHEMBL6756134 | 0.76 | NPC1 (0.59) | NPC1RAB9AKDM4EHTR2BKMT2A | |
| SCHEMBL2276872 | 0.75 | ALDH1A1 (0.59) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL3557180 | 0.75 | HTR2B (0.46) | NPC1RAB9AKDM4EHTR2BKMT2A | |
| SCHEMBL3124136 | 0.75 | MPO (0.38) | NPC1RAB9AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL3250003 | 0.75 | MPO (0.38) | NPC1RAB9AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL6757201 | 0.75 | NPC1 (0.62) | NPC1RAB9AKDM4EHTR2BPOLB | |
| SCHEMBL724921 | 0.75 | NPC1 (0.62) | NPC1RAB9AKDM4EHTR2BPOLB |
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-2379524-A1 | SEROTONIN 5-HT2B RECEPTOR INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010080357-A1 | SEROTONIN 5-HT2B RECEPTOR INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-07-15 | — | — | WO | disclosed |