Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | APP | P05067 | 4/20 | 0.50 |
| ▸ | XDH | P47989 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MPI | P34949 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL760252 | 0.93 | NQO1 (0.74) | NQO1TSHRTDP1APPLTA4H | |
| SCHEMBL5833291 | 0.88 | NQO1 (0.82) | NQO1TSHRTDP1XDHLTA4H | |
| SCHEMBL18417193 | 0.88 | NQO1 (0.82) | NQO1TSHRTDP1XDHLTA4H | |
| SCHEMBL9155582 | 0.88 | NQO1 (0.82) | NQO1TSHRTDP1XDHLTA4H | |
| SCHEMBL28147767 | 0.84 | NQO1 (0.61) | NQO1TSHRTDP1APPLTA4H | |
| SCHEMBL28272644 | 0.83 | NQO1 (0.58) | NQO1TSHRTDP1APPKDM4E | |
| SCHEMBL8772631 | 0.83 | CYP2D6 (0.63) | LTA4HKDM4ERAB9ASMN1; SMN2NPC1 | |
| SCHEMBL456905 | 0.83 | NQO1 (0.58) | NQO1TSHRTDP1APPLTA4H | |
| SCHEMBL8560862 | 0.82 | RARB (0.46) | NQO1APPKDM4ECYP1A2CYP3A4 | |
| SCHEMBL13048467 | 0.81 | NQO1 (0.70) | NQO1TSHRTDP1XDHLTA4H |
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-20120214782-A1 | New compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-23 | — | — | US | disclosed |
| WO-2012032014-A1 | ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-03-15 | — | — | WO | 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-20120214782-A1 | New compounds, pharmaceutical compositions and uses thereof | ABCG2, PGA5, PDE6G | NQO1 527/4885TSHR 4700/4885TDP1 4131/4885 |
“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.