Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.62 |
| ▸ | RAB9A | P51151 | 7/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1156414 | 0.81 | NPC1 (0.90) | NPC1RAB9ATDP1ALDH1A1MEN1 | |
| SCHEMBL3612485 | 0.75 | EDNRA (0.66) | NPC1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL27294093 | 0.74 | NPC1 (0.54) | NPC1RAB9AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL28171584 | 0.73 | EDNRA (0.47) | NPC1RAB9AKDM4EHSD17B10MAPT | |
| SCHEMBL4950101 | 0.73 | EDNRA (0.47) | NPC1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL936525 | 0.73 | TAS1R3 (0.57) | NPC1RAB9AALDH1A1HPGDMEN1 | |
| SCHEMBL1987660 | 0.72 | TAS1R3 (0.64) | NPC1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL3608518 | 0.69 | RAB9A (0.76) | NPC1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL457993 | 0.68 | NPC1 (0.84) | NPC1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL21593332 | 0.68 | PPIA (0.51) | NPC1RAB9AALDH1A1KDM4EHPGD |
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-1776106-A1 | HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006010008-A1 | HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-01-26 | — | — | WO | disclosed |