Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14920073 | 0.79 | ALDH1A1 (0.42) | ALDH1A1CYP1A2ADH1CADH1ASMN1; SMN2 | |
| SCHEMBL10829044 | 0.77 | — | — | |
| SCHEMBL7062573 | 0.75 | EPHX2 (0.38) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL27467689 | 0.73 | ALDH1A1 (0.40) | ALDH1A1CYP1A2ADH1ASMN1; SMN2HTR2A | |
| SCHEMBL11776920 | 0.70 | NAAA (0.44) | PHGDHALDH1A1CYP1A2ADH1CADH1A | |
| SCHEMBL1838694 | 0.70 | ALDH1A1 (0.40) | ALDH1A1EPHX2TSHR | |
| SCHEMBL10530131 | 0.69 | ALDH1A1 (0.45) | PHGDHALDH1A1CYP1A2SMN1; SMN2MEN1 | |
| SCHEMBL7509003 | 0.69 | ALDH1A1 (0.54) | PHGDHALDH1A1MEN1KMT2AEPHX2 | |
| SCHEMBL11549041 | 0.69 | TSHR (0.42) | HTR2AEPHX2TSHR | |
| SCHEMBL28335632 | 0.69 | ALDH1A1 (0.39) | ALDH1A1ADH1AEPHX2 |
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-5019611-A | Tetrahydrotriazinethiones | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1991-05-28 | — | — | US | disclosed |
| EP-0278890-A2 | Non-staining and slightly-staining antiozonants | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1988-08-17 | — | — | EP | disclosed |