Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6325160 | 0.78 | TAAR1 (0.61) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL3861713 | 0.77 | HKDC1 (0.55) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL11529211 | 0.76 | DPP4 (0.56) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL3624306 | 0.76 | TAAR1 (0.48) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL11478651 | 0.76 | HKDC1 (0.55) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL5998357 | 0.75 | TAAR1 (0.64) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| Ammonia Solution, Strong SCHEMBL18191766 | 0.75 | HKDC1 (0.53) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL28511682 | 0.75 | TAAR1 (0.52) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A | |
| SCHEMBL4892666 | 0.74 | CES2 (0.42) | TAAR1HTR2ADPP4TSHRF2 | |
| SCHEMBL7958722 | 0.73 | TACR1 (0.43) | TAAR1SLC6A4SLC6A3SLC6A2HTR2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7425580-B2 | (Diaryl-methyl)-malononitriles and their use as estrogen receptor ligands | WYETH (US) | 2008-09-16 | — | — | US | disclosed |
| US-20060014831-A1 | (Diaryl-methyl)-malononitriles and their use as estrogen receptor ligands | WYETH (US) | 2006-01-19 | — | — | 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-20060014831-A1 | (Diaryl-methyl)-malononitriles and their use as estrogen receptor ligands | ESR1, ESR2, GPER1 | TAAR1 404/4885SLC6A4 3720/4885SLC6A3 3526/4885 |
“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.