Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | GPR3 | P46089 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL512300 | 0.81 | GPR3 (0.46) | ALDH1A1HPGDRAB9ANPC1LMNA | |
| SCHEMBL4570573 | 0.80 | CYP2A6 (0.39) | CYP2A6 | |
| SCHEMBL13452755 | 0.80 | CYP2A6 (0.45) | CYP2A6ALDH1A1HPGDMAPTGLA | |
| SCHEMBL1193947 | 0.74 | ALDH1A1 (0.59) | CYP2A6ALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL17340900 | 0.71 | GPR3 (0.52) | ALDH1A1HPGDRAB9ANPC1LMNA | |
| SCHEMBL14854117 | 0.71 | ALDH1A1 (0.55) | ALDH1A1HPGDRAB9ANPC1LMNA | |
| SCHEMBL18909178 | 0.71 | GPR3 (0.52) | ALDH1A1HPGDRAB9ANPC1LMNA | |
| SCHEMBL11553581 | 0.70 | CYP2A6 (0.56) | CYP2A6ALDH1A1RAB9ANPC1MAPT | |
| Dibenzothiophene SCHEMBL28316922 | 0.70 | GPR3 (0.93) | ALDH1A1HPGDRAB9ANPC1MAPT | |
| SCHEMBL513104 | 0.69 | GPR35 (0.66) | ALDH1A1HPGDRAB9ANPC1LMNA |
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-20120028931-A1 | HETEROCYCLIC M-GLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2012-02-02 | — | — | 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-20120028931-A1 | HETEROCYCLIC M-GLU5 ANTAGONISTS | OPRM1, GRM5, OPRD1 | CYP2A6 1688/4885ALDH1A1 2610/4885HPGD 1718/4885 |
“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.