Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.47 |
| ▸ | IKBKB | O14920 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TTR | P02766 | 1/20 | 0.46 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10024259 | 0.83 | MCL1 (0.56) | ALDH1A1FTOCYP2A6MCL1AKR1C2 | |
| SCHEMBL28840070 | 0.81 | ALDH1A1 (0.55) | ALDH1A1AKR1C2AKR1C1AKR1C3NOTUM | |
| SCHEMBL28002285 | 0.81 | FABP4 (0.49) | ALDH1A1MCL1AKR1C2AKR1C1KMT2A | |
| SCHEMBL10024228 | 0.80 | MCL1 (0.53) | ALDH1A1FTOCYP2A6MCL1 | |
| SCHEMBL27512427 | 0.79 | KDM4E (0.49) | ALDH1A1MCL1IKBKBKMT2AMEN1 | |
| SCHEMBL28002284 | 0.79 | MCL1 (0.47) | ALDH1A1FTOMCL1USP2TTR | |
| SCHEMBL27431173 | 0.79 | ALDH1A1 (0.48) | ALDH1A1FTOMCL1AKR1C2AKR1C1 | |
| SCHEMBL27900617 | 0.79 | ACMSD (0.64) | ALDH1A1MCL1AKR1C2AKR1C1TTR | |
| SCHEMBL27288643 | 0.79 | SLC6A4 (0.49) | ALDH1A1FTOKMT2AMEN1LMNA | |
| SCHEMBL27786187 | 0.77 | PTPN1 (0.58) | ALDH1A1MCL1AKR1C2AKR1C1AKR1C3 |
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-104428292-B | Phenylalkyl sulfamate compound and muscle relaxant composition comprising same | 生物药品解决方案有限公司 | 2017-02-08 | — | — | CN | claimed |
| CN-104428292-A | Phenylalkyl sulfamate compound and muscle relaxant composition comprising same | BIO PHARM SOLUTIONS CO LTD | 2015-03-18 | — | — | CN | claimed |
| CN-104428292-B | Phenylalkyl sulfamate compound and muscle relaxant composition comprising same | 生物药品解决方案有限公司 | 2017-02-08 | — | — | CN | disclosed |
| CN-103189363-B | Biaryl linked aryl triazolones and uses thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-07-29 | — | — | CN | disclosed |
| CN-104428292-A | Phenylalkyl sulfamate compound and muscle relaxant composition comprising same | BIO PHARM SOLUTIONS CO LTD | 2015-03-18 | — | — | CN | disclosed |
| CN-103189363-A | Biaryl linked aryl triazolones and uses thereof | BAYER IP GMBH | 2013-07-03 | — | — | CN | disclosed |