Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 7/20 | 0.79 |
| ▸ | MAOB | P27338 | 7/20 | 0.79 |
| ▸ | KDM1A | O60341 | 4/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2289825 | 1.00 | MAOA (0.79) | MAOAMAOBKDM1A | |
| SCHEMBL20198582 | 1.00 | MAOA (0.79) | MAOAMAOBKDM1A | |
| SCHEMBL8803044 | 1.00 | MAOA (0.79) | MAOAMAOBKDM1A | |
| SCHEMBL433971 | 0.98 | MAOA (0.83) | MAOAMAOBKDM1A | |
| Hydrochloric Acid SCHEMBL3967040 | 0.96 | MAOA (0.79) | MAOAMAOBKDM1A | |
| SCHEMBL5190756 | 0.93 | MAOA (0.83) | MAOAMAOBKDM1A | |
| Hydrochloric Acid SCHEMBL3712837 | 0.91 | MAOA (0.79) | MAOAMAOBKDM1A | |
| SCHEMBL1318340 | 0.89 | MAOA (1.00) | MAOAMAOBKDM1A | |
| Hydrochloric Acid SCHEMBL1318464 | 0.86 | MAOA (0.95) | MAOAMAOBKDM1A | |
| Hydrochloric Acid SCHEMBL28716487 | 0.84 | MAOA (0.91) | MAOAMAOBKDM1A |
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-11195597-B2 | Method and device for calculating acid dissociation constant, and program | FUJITSU LIMITED (JP) | 2021-12-07 | — | — | US | disclosed |
| US-20180121632-A1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | FUJITSU LIMITED (JP) | 2018-05-03 | — | — | US | disclosed |