Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | TERT | O14746 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23044803 | 0.82 | ALDH1A1 (0.33) | ALDH1A1TDP1MAPK1 | |
| SCHEMBL27577308 | 0.82 | ALDH1A1 (0.36) | ALDH1A1MEN1KMT2ATSHRKDM4E | |
| SCHEMBL28063966 | 0.81 | JAK2 (0.33) | ALDH1A1TDP1MAPK1 | |
| SCHEMBL23044788 | 0.81 | CES2 (0.33) | ALDH1A1MEN1KMT2ATDP1MAPK1 | |
| SCHEMBL27902949 | 0.81 | CYP1A2 (0.33) | ALDH1A1KDM4EHSD17B10TDP1MAPK1 | |
| SCHEMBL27903018 | 0.77 | ALDH1A1 (0.31) | ALDH1A1TDP1MAPK1 | |
| SCHEMBL8620985 | 0.73 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2AKDM4EHSD17B10 | |
| SCHEMBL28275933 | 0.71 | EDNRA (0.48) | ALDH1A1KDM4ETDP1MAPK1 | |
| SCHEMBL27903016 | 0.70 | — | — | |
| SCHEMBL28824909 | 0.70 | ALDH1A1 (0.31) | ALDH1A1TDP1MAPK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105481864-A | Modulators of 5-HT receptors and methods of use thereof | ABBOTT GMBH & CO KG ABBOTT LAB | 2016-04-13 | — | — | CN | disclosed |
| CN-105461589-A | Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals | SANOFI AVENTIS | 2016-04-06 | — | — | CN | disclosed |
| CN-105418450-A | ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI AVENTIS | 2016-03-23 | — | — | CN | disclosed |
| CN-102083432-B | Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals | SANOFI-AVENTIS (FR) | 2016-02-17 | — | — | CN | disclosed |
| CN-102712643-B | Modulators of 5-HT receptors and methods of use thereof | ABBVIE (US) | 2015-12-16 | — | — | CN | disclosed |
| CN-102712643-A | Modulators of 5-HT receptors and methods of use thereof | ABBOTT LAB | 2012-10-03 | — | — | CN | disclosed |