Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.56 |
| ▸ | TACR3 | P29371 | 5/20 | 0.56 |
| ▸ | DHODH | Q02127 | 2/20 | 0.54 |
| ▸ | TACR2 | P21452 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7686462 | 1.00 | TSHR (0.56) | TSHRPDE10ATACR3DHODHTACR2 | |
| SCHEMBL8249659 | 0.89 | PDE10A (0.59) | TSHRPDE10ATACR3DHODHTACR2 | |
| SCHEMBL7684676 | 0.77 | TACR3 (0.74) | TSHRPDE10ATACR3TACR2ALDH1A1 | |
| SCHEMBL7684672 | 0.77 | TACR3 (0.74) | TSHRPDE10ATACR3TACR2ALDH1A1 | |
| SCHEMBL2372674 | 0.77 | PDE10A (0.73) | TSHRPDE10ATACR3DHODHTACR2 | |
| SCHEMBL2007335 | 0.76 | CYP2D6 (0.62) | TSHRPDE10ATACR3DHODHALDH1A1 | |
| SCHEMBL2053743 | 0.75 | TACR3 (0.58) | TSHRPDE10ATACR3DHODHCYP3A4 | |
| SCHEMBL2013005 | 0.74 | TACR3 (0.59) | TSHRPDE10ATACR3TACR2TP53 | |
| SCHEMBL5945357 | 0.73 | PDE10A (0.68) | TSHRPDE10ATACR3DHODHTACR2 | |
| SCHEMBL1581468 | 0.73 | PDE10A (1.00) | TSHRPDE10ADHODHCYP2C19KMT2A |
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-20020068827-A1 | Quinoline-4-carboxamide derivatives, their preparation and their use as neurokinin 3 ( NK-3 ) - and neurokinin 2 ( NK-3 ) receptor antagonists | SMITHKLINE BEECHAM S.P.A. | 2002-06-06 | — | — | 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-20020068827-A1 | Quinoline-4-carboxamide derivatives, their preparation and their use as neurokinin 3 ( NK-3 ) - and neurokinin 2 ( NK-3 ) receptor antagonists | TAC3, TACR2, TACR1 | TSHR 831/4885PDE10A 3087/4885TACR3 40/4885 |
“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.