Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 9/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29552567 | 0.93 | ACHE (0.47) | MAOAMAOBTDP1DRD2EPHX1 | |
| SCHEMBL7131093 | 0.91 | EPHX1 (0.45) | MAOAMAOBTDP1DRD2EPHX1 | |
| SCHEMBL6828378 | 0.91 | EPHX1 (0.45) | MAOAMAOBTDP1DRD2EPHX1 | |
| SCHEMBL16279605 | 0.84 | TDP1 (0.48) | MAOAMAOBTDP1DRD2EPHX1 | |
| SCHEMBL16279606 | 0.84 | TDP1 (0.48) | MAOAMAOBTDP1DRD2EPHX1 | |
| SCHEMBL18851285 | 0.84 | ACHE (0.54) | MAOAMAOBTDP1DRD2EPHX1 | |
| SCHEMBL28720050 | 0.83 | ACHE (0.41) | MAOAMAOBTDP1DRD2EPHX1 | |
| SCHEMBL18850979 | 0.82 | KDM4E (0.42) | DRD2 | |
| SCHEMBL20545347 | 0.80 | DPP4 (0.43) | DRD2ACHE | |
| SCHEMBL20545344 | 0.80 | DPP4 (0.43) | DRD2ACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017075694-A1 | ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR | SIMON FRASER UNIVERSITY (CA) | 2017-05-11 | — | — | WO | disclosed |
| US-5583146-A | Heterocyclic thrombin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-12-10 | — | — | US | disclosed |
| EP-0601459-A2 | Sulfonamido heterocyclic thrombin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1994-06-15 | — | — | EP | disclosed |