Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 5/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2575115 | 1.00 | CYP2A6 (0.44) | CYP2A6ALDH1A1ALOX15MAPK1CA2 | |
| SCHEMBL8779728 | 0.85 | — | — | |
| SCHEMBL2786319 | 0.77 | CYP2A6 (0.50) | CYP2A6ALDH1A1ALOX15MAPK1CA2 | |
| SCHEMBL17907429 | 0.77 | — | — | |
| SCHEMBL7166369 | 0.77 | CYP2A6 (0.50) | CYP2A6ALDH1A1ALOX15MAPK1CA2 | |
| SCHEMBL254471 | 0.74 | ACHE (0.47) | ALDH1A1CA2CA1TDP1TSHR | |
| SCHEMBL280535 | 0.74 | ACHE (0.47) | ALDH1A1CA2CA1TDP1TSHR | |
| SCHEMBL1094237 | 0.74 | ACHE (0.47) | ALDH1A1CA2CA1TDP1TSHR | |
| SCHEMBL19903213 | 0.74 | CYP2A6 (0.35) | CYP2A6ALDH1A1TSHRTAAR1 | |
| SCHEMBL10200928 | 0.72 | MEN1 (0.44) | ALDH1A1ALOX15MAPK1CA2CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200399268-A1 | Pharmaceutical 6,5 Heterobicyclic Ring Derivatives | EVOTEC (UK) LTD (GB) | 2020-12-24 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20200399268-A1 | Pharmaceutical 6,5 Heterobicyclic Ring Derivatives | STING1, IRF3, NFATC1 | CYP2A6 857/4885ALDH1A1 4838/4885ALOX15 252/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.