Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 8/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.35 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | FURIN | P09958 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7239465 | 0.88 | NCOA1 (0.42) | CYP3A4BRD4TDP1MAPK1NCOA1 | |
| SCHEMBL241344 | 0.81 | CYP3A4 (0.51) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL1071989 | 0.81 | CYP3A4 (0.40) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL29812870 | 0.81 | CYP3A4 (0.40) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL7604822 | 0.80 | NCOA1 (0.57) | CYP3A4BRD4TDP1MAPK1NCOA1 | |
| SCHEMBL166668 | 0.78 | CYP3A4 (0.49) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL10906029 | 0.75 | CYP3A4 (0.45) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL10610591 | 0.74 | CYP3A4 (0.41) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL6940624 | 0.73 | NCOA1 (0.42) | CYP3A4NCOA1NCOA3TSHRALDH1A1 | |
| SCHEMBL9359283 | 0.73 | CYP3A4 (0.50) | CYP3A4TRPA1TDP1MAPK1TSHR |
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-20100105833-A1 | WATER-EMULSIFIABLE POLYISOCYANATES | BASF SE (DE) | 2010-04-29 | — | — | 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-20100105833-A1 | WATER-EMULSIFIABLE POLYISOCYANATES | AQP3, AQP1, AQP4 | CYP3A4 433/4885TRPA1 3977/4885BRD4 3896/4885 |
“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.