Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.50 |
| ▸ | MAOB | P27338 | 3/20 | 0.50 |
| ▸ | KDM1A | O60341 | 5/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | RCOR1 | Q9UKL0 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21058274 | 1.00 | MAOA (0.50) | MAOAMAOBKDM1ACYP2A6HTR2A | |
| SCHEMBL1824162 | 1.00 | MAOA (0.50) | MAOAMAOBKDM1ACYP2A6HTR2A | |
| SCHEMBL20104705 | 1.00 | MAOA (0.50) | MAOAMAOBKDM1ACYP2A6HTR2A | |
| Hydrochloric Acid SCHEMBL3962270 | 0.98 | KDM1A (0.49) | MAOAMAOBKDM1ARCOR1 | |
| SCHEMBL21058245 | 0.98 | MAOA (0.52) | MAOAMAOBKDM1ACYP2A6HTR2A | |
| SCHEMBL20104682 | 0.89 | MAOB (0.47) | MAOAMAOBKDM1AHTR2ASIGMAR1 | |
| SCHEMBL20198587 | 0.89 | MAOB (0.47) | MAOAMAOBKDM1AHTR2ASIGMAR1 | |
| SCHEMBL23740191 | 0.87 | MAOA (0.47) | MAOAMAOBHTR2ASIGMAR1 | |
| SCHEMBL20198588 | 0.87 | MAOA (0.47) | MAOAMAOBHTR2ASIGMAR1 | |
| SCHEMBL20104811 | 0.87 | MAOA (0.47) | MAOAMAOBHTR2ASIGMAR1 |
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 3 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 |
| EP-3327603-B1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | FUJITSU LTD (JP) | 2021-08-11 | — | — | EP | disclosed |
| US-20180121632-A1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | FUJITSU LIMITED (JP) | 2018-05-03 | — | — | US | disclosed |