Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 2/20 | 0.94 |
| ▸ | HTT | P42858 | 2/20 | 0.94 |
| ▸ | GSDMD | P57764 | 2/20 | 0.94 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.94 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.94 |
| ▸ | CA12 | O43570 | 6/20 | 0.48 |
| ▸ | CA1 | P00915 | 6/20 | 0.48 |
| ▸ | CA2 | P00918 | 6/20 | 0.48 |
| ▸ | CA9 | Q16790 | 6/20 | 0.48 |
| ▸ | EHMT2 | Q96KQ7 | 3/20 | 0.48 |
| ▸ | EHMT1 | Q9H9B1 | 3/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MGLL | Q99685 | 5/20 | 0.46 |
| ▸ | PHGDH | O43175 | 3/20 | 0.46 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Ditiocarb SCHEMBL30777192 | 0.97 | ABCB11 (1.00) | ABCB11HTTGSDMDCYP2E1PTGS1 | |
| Ditiocarb SCHEMBL48382 | 0.97 | — | — | |
| Ditiocarb SCHEMBL3134487 | 0.94 | — | — | |
| Ditiocarb SCHEMBL451162 | 0.94 | — | — | |
| Ditiocarb SCHEMBL979010 | 0.94 | — | — | |
| Ditiocarb SCHEMBL23045104 | 0.94 | — | — | |
| Ditiocarb SCHEMBL622679 | 0.94 | — | — | |
| Ditiocarb SCHEMBL21359739 | 0.94 | ABCB11 (0.94) | ABCB11HTTGSDMDCYP2E1PTGS1 | |
| Ditiocarb SCHEMBL21801890 | 0.94 | — | — | |
| Ditiocarb SCHEMBL25284941 | 0.94 | ABCB11 (0.94) | ABCB11HTTGSDMDCYP2E1PTGS1 |
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-5104959-A | POLYURETHANE-BASED REACTIVE ADHESIVES IN WHICH THE ISOCYANATE IS STABILIZED BY A POLYETHER AMINE | BAYER AKTIENGESELLSCHAFT (DE) | 1992-04-14 | — | — | US | disclosed |