Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | TLR4 | O00206 | 1/20 | 0.41 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 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 | |
|---|---|---|---|---|
| SCHEMBL28609933 | 0.83 | LCK (0.60) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8776563 | 0.82 | NPC1 (0.47) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL31583125 | 0.82 | LCK (0.51) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL1520719 | 0.80 | MEN1 (0.50) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL29549500 | 0.79 | MAOA (0.58) | NPC1RAB9AMEN1KMT2AMAOA | |
| SCHEMBL429910 | 0.79 | MAOA (0.58) | NPC1RAB9AMEN1KMT2AMAOA | |
| SCHEMBL15690177 | 0.79 | TP53 (0.59) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL15688654 | 0.79 | TP53 (0.59) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL26208667 | 0.79 | NPC1 (0.43) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL22982632 | 0.78 | KDM4E (0.69) | NPC1RAB9AMEN1KMT2AKDM4E |
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-2352560-A1 | PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE | Firmenich S.A. (CH) | 2011-08-10 | — | — | EP | disclosed |
| WO-2010052636-A1 | PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE | FIRMENICH SA (CH) | 2010-05-14 | — | — | WO | disclosed |