Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL11023935 | 0.81 | CYP3A4 (0.54) | TSHRCYP3A4TDP1ATMALDH1A1 | |
| SCHEMBL10483105 | 0.80 | TSHR (0.45) | TSHRCYP3A4TDP1ATMALDH1A1 | |
| SCHEMBL11299314 | 0.79 | CYP3A4 (0.62) | TSHRCYP3A4TDP1ATMALDH1A1 | |
| SCHEMBL11023940 | 0.76 | CYP3A4 (0.58) | TSHRCYP3A4TDP1ATMALDH1A1 | |
| SCHEMBL31253474 | 0.75 | CYP3A4 (0.66) | TSHRCYP3A4TDP1ATMALDH1A1 | |
| SCHEMBL4406016 | 0.75 | CYP3A4 (0.57) | TSHRCYP3A4TDP1ATMALDH1A1 | |
| SCHEMBL5557005 | 0.74 | CYP3A4 (0.65) | TSHRCYP3A4TDP1ATMALDH1A1 | |
| SCHEMBL11300679 | 0.74 | CYP3A4 (0.60) | TSHRCYP3A4TDP1ATMALDH1A1 | |
| SCHEMBL4458035 | 0.73 | CYP3A4 (0.63) | TSHRCYP3A4TDP1ATMALDH1A1 | |
| SCHEMBL19056006 | 0.73 | TSHR (0.59) | TSHRCYP3A4TDP1ATMALDH1A1 |
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-4479002-A | CHEMICAL INTERMEDIATES FOR INSECTICIDES, PESTICIDES | UNION CARBIDE CORPORATION (US) | 1984-10-23 | — | — | US | disclosed |
| US-4341795-A | PESTICIDES; INSECTICIDES; MITICIDES | UNION CARBIDE CORPORATION (US) | 1982-07-27 | — | — | US | disclosed |