Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27820512 | 0.74 | ATM (0.48) | TAAR1ATMSMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL2661298 | 0.73 | TAAR1 (0.47) | TAAR1ATMSMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL7997821 | 0.71 | GAA (0.41) | TAAR1ATMALDH1A1KDM1AMAOA | |
| SCHEMBL22013858 | 0.71 | GAA (0.41) | TAAR1ATMALDH1A1KDM1AMAOA | |
| SCHEMBL14130984 | 0.69 | GAA (0.41) | ATMALDH1A1KDM1AMAOAMAOB | |
| SCHEMBL9023088 | 0.67 | CYP3A4 (0.47) | TAAR1ATMSMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL31274392 | 0.67 | MAPK1 (0.41) | ATMALDH1A1KDM1AMAOAMAOB | |
| SCHEMBL2018774 | 0.67 | CHRM2 (0.51) | TAAR1ATMCHRM2CHRM1CHRM3 | |
| SCHEMBL19355275 | 0.66 | TAAR1 (1.00) | TAAR1ATMCHRM2CHRM1CHRM3 | |
| SCHEMBL1878 | 0.66 | TAAR1 (1.00) | TAAR1ATMCHRM2CHRM1CHRM3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109912683-B | Cytotoxin molecule, conjugate, preparation method and application thereof | 杭州多禧生物科技有限公司 | 2023-01-06 | — | — | CN | disclosed |
| CN-115505029-A | Cytotoxin molecule, conjugate, preparation method and application thereof | 杭州多禧生物科技有限公司 | 2022-12-23 | — | — | CN | disclosed |