Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 9/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21964602 | 0.71 | ALPL (0.47) | ALDH1A1MAPTNPC1MEN1KMT2A | |
| SCHEMBL10399828 | 0.70 | — | — | |
| SCHEMBL162091 | 0.67 | HPGD (0.41) | MAPTCYP1A2CYP2C9LMNAPOLB | |
| Hydrochloric Acid SCHEMBL6621832 | 0.67 | HRH4 (0.38) | ALDH1A1HTTMAPTGAANPC1 | |
| SCHEMBL2427435 | 0.66 | — | — | |
| SCHEMBL3582886 | 0.66 | — | — | |
| SCHEMBL8023464 | 0.66 | — | — | |
| SCHEMBL18529294 | 0.66 | — | — | |
| SCHEMBL15728413 | 0.64 | HCAR2 (0.42) | ALDH1A1MAPTCYP1A2CYP2C9NPC1 | |
| Ethane SCHEMBL28967597 | 0.64 | HPGD (0.39) | ALDH1A1MAPTCYP1A2CYP2C9GAA |
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-110156813-A | Heterocyclic compound as TRK inhibitor | 北京诺诚健华医药科技有限公司 | 2019-08-23 | — | — | CN | disclosed |