Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 9/20 | 0.73 |
| ▸ | POLB | P06746 | 1/20 | 0.73 |
| ▸ | GAA | P10253 | 1/20 | 0.73 |
| ▸ | MC4R | P32245 | 1/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9939730 | 0.84 | TAAR1 (0.64) | TAAR1POLBGAAMC4RNPSR1 | |
| SCHEMBL9939596 | 0.84 | TAAR1 (0.64) | TAAR1POLBGAAMC4RNPSR1 | |
| SCHEMBL9939592 | 0.84 | TAAR1 (0.64) | TAAR1POLBGAAMC4RNPSR1 | |
| SCHEMBL13445001 | 0.84 | TAAR1 (0.65) | TAAR1POLBGAAMC4RNPSR1 | |
| SCHEMBL8354726 | 0.84 | TAAR1 (0.64) | TAAR1POLBGAAMC4RNPSR1 | |
| SCHEMBL22178742 | 0.82 | MC4R (0.88) | TAAR1POLBGAAMC4RNPSR1 | |
| Hydrochloric Acid SCHEMBL22160650 | 0.81 | MC4R (0.86) | TAAR1POLBGAAMC4RNPSR1 | |
| SCHEMBL22160748 | 0.78 | TAAR1 (0.61) | TAAR1POLBGAAMC4RNPSR1 | |
| SCHEMBL23417495 | 0.78 | CYP2C19 (0.68) | TAAR1POLBGAAALDH1A1KMT2A | |
| SCHEMBL7272444 | 0.77 | TAAR1 (0.64) | TAAR1POLBGAANPSR1ALDH1A1 |
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-108503650-B | Dioxane and quinazoline compound or medicinal salt or hydrate thereof and application of dioxane and quinazoline compound or medicinal salt or hydrate thereof as tyrosine kinase inhibitor | 北京赛特明强医药科技有限公司 | 2021-02-12 | — | — | CN | disclosed |