Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SENP2 | Q9HC62 | 1/20 | 0.35 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16606251 | 0.81 | ALDH1A1 (0.46) | ALDH1A3MAPTTDP1TSHRHTR2A | |
| SCHEMBL14579646 | 0.80 | ALDH1A1 (0.43) | CYP1A2MAPTTDP1TSHRALDH1A1 | |
| SCHEMBL1911936 | 0.78 | CA12 (0.48) | MAPTHTR2AALDH1A1KDM4EHTT | |
| SCHEMBL26109321 | 0.78 | XDH (0.46) | — | |
| SCHEMBL15298623 | 0.78 | JUN (0.38) | ALDH1A3CYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL26245660 | 0.78 | RXRA (0.47) | ALDH1A3CYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL3631030 | 0.75 | ALDH1A3 (0.63) | ALDH1A3TSHRALDH1A1ERN1KMT2A | |
| SCHEMBL8611737 | 0.75 | TDP1 (0.46) | MAPTTDP1ALDH1A1KDM4EHPGD | |
| SCHEMBL4010865 | 0.75 | TDP1 (0.36) | ALDH1A3CYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL12476044 | 0.75 | ALDH1A3 (0.53) | ALDH1A3CYP1A2MAPTCYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103517910-B | Morpholine-spirocyclic piperidine amides as modulators of ion channels | 沃泰克斯药物股份有限公司 | 2016-12-14 | — | — | CN | disclosed |