Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 17/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 15/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL8435138 | 1.00 | SLC6A4 (0.42) | SLC6A4SLC6A2SLC6A3KCNH2MCHR1 | |
| Trifluoroacetic Acid SCHEMBL34473342 | 0.90 | SLC6A1 (0.42) | SLC6A4SLC6A2SLC6A3KCNH2CHRM4 | |
| Trifluoroacetic Acid SCHEMBL5443972 | 0.89 | GABRP (0.39) | SLC6A4SLC6A2SLC6A3 | |
| Trifluoroacetic Acid SCHEMBL5443966 | 0.89 | GABRP (0.39) | SLC6A4SLC6A2SLC6A3 | |
| Trifluoroacetic Acid SCHEMBL7446778 | 0.89 | GABRP (0.39) | SLC6A4SLC6A2SLC6A3 | |
| Trifluoroacetic Acid SCHEMBL3271739 | 0.85 | SLC6A2 (0.35) | SLC6A4SLC6A2SLC6A3KCNH2CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL34473322 | 0.81 | SLC6A4 (0.38) | SLC6A4SLC6A2SLC6A3KCNH2CHRM4 | |
| SCHEMBL64636 | 0.80 | — | — | |
| SCHEMBL132685 | 0.80 | — | — | |
| SCHEMBL91517 | 0.80 | — | — |
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-5866564-A | STABILITY | SANKYO COMPANY, LIMITED (JP) | 1999-02-02 | — | — | US | disclosed |
| US-5712267-A | Carbapenem derivatives, their preparation and their use as antibiotics | SANKYO COMPANY,. LIMITED (JP) | 1998-01-27 | — | — | US | disclosed |
| EP-0560613-A1 | Antimicrobial carbapenem derivatives, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1993-09-15 | — | — | EP | disclosed |