Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 3/20 | 0.53 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL4794282 | 0.78 | COMT (0.50) | COMTBRD4ALDH1A1KDM4EHPGD | |
| SCHEMBL8142857 | 0.78 | ALDH1A1 (0.53) | COMTALDH1A1KDM4ECYP1A2HPGD | |
| SCHEMBL17918809 | 0.75 | COMT (0.41) | COMTALDH1A1KDM4ECYP1A2HPGD | |
| SCHEMBL8139014 | 0.75 | MAPK1 (0.47) | COMTALDH1A1KDM4ECYP1A2HPGD | |
| SCHEMBL9558331 | 0.75 | TET2 (0.40) | COMTBRD4ALDH1A1CYP1A2RAB9A | |
| SCHEMBL9464966 | 0.75 | COMT (0.37) | COMTALDH1A1KDM4ECYP1A2HPGD | |
| SCHEMBL1126626 | 0.74 | BRD4 (0.60) | COMTBRD4ALDH1A1KDM4ERAB9A | |
| SCHEMBL9753270 | 0.72 | BRD4 (0.44) | COMTBRD4ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL17916163 | 0.72 | ALDH1A1 (0.52) | COMTALDH1A1KDM4ECYP1A2HPGD | |
| SCHEMBL14827223 | 0.72 | COMT (0.74) | COMTALDH1A1FAAHHSP90AA1PKM |
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-20170158718-A9 | TITANIUM (IV) COMPOUNDS AND METHODS OF FORMING HETEROCYCLIC COMPOUNDS USING SAME | REGENTS OF THE UNIVERSITY OF MINNESOTA | 2017-06-08 | — | — | 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-20170158718-A9 | TITANIUM (IV) COMPOUNDS AND METHODS OF FORMING HETEROCYCLIC COMPOUNDS USING SAME | TERT, PIK3C3, TPI1 | COMT 4/4885BRD4 2213/4885ALDH1A1 1947/4885 |
“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.