Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.57 |
| ▸ | USP2 | O75604 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL13016528 | 0.87 | ACHE (0.67) | ACHESMN1; SMN2OPRM1OPRK1OPRL1 | |
| Hydrochloric Acid SCHEMBL9585539 | 0.84 | ACHE (0.50) | ACHEOPRM1OPRK1OPRL1CHRM3 | |
| SCHEMBL9586632 | 0.83 | ACHE (0.64) | ACHEKMT2AKDM4EALDH1A1MAPT | |
| SCHEMBL250673 | 0.83 | ACHE (0.69) | ACHEOPRM1OPRK1OPRL1CHRM3 | |
| Hydrochloric Acid SCHEMBL9585516 | 0.82 | ACHE (0.63) | ACHEKMT2AKDM4EALDH1A1MAPT | |
| SCHEMBL9585353 | 0.81 | USP2 (0.61) | USP2KMT2AKEAP1NFE2L2KDM4E | |
| SCHEMBL7646060 | 0.79 | KEAP1 (0.57) | USP2KMT2AKEAP1NFE2L2KDM4E | |
| SCHEMBL9586240 | 0.77 | USP2 (0.58) | USP2KMT2AKEAP1NFE2L2KDM4E | |
| SCHEMBL8327851 | 0.75 | ACHE (0.57) | ACHEKMT2ACHRM3 | |
| SCHEMBL9585526 | 0.75 | HTR1A (0.49) | ATM |
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 |
|---|---|---|---|---|---|---|---|
| US-5202318-A | Antiserotonine, antiemetic agents | SYNTEX (U.S.A.) INC. (US) | 1993-04-13 | — | — | US | disclosed |
| WO-1992021673-A1 | NOVEL AZABICYCLOBENZISOQUINOLINES | SYNTEX (U.S.A.) INC. (US) | 1992-12-10 | — | — | WO | disclosed |