Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11687442 | 0.98 | ALDH1A1 (0.42) | ALDH1A1GAAMMP1MMP2MMP3 | |
| SCHEMBL4405423 | 0.87 | ALDH1A1 (0.48) | ALDH1A1GAAMMP1MMP2MMP3 | |
| SCHEMBL10068166 | 0.81 | ALDH1A1 (0.44) | ALDH1A1GAAMMP1MMP2MMP3 | |
| SCHEMBL11687438 | 0.79 | ALDH1A1 (0.42) | ALDH1A1GAAMMP1MMP2MMP3 | |
| SCHEMBL12016262 | 0.79 | ALDH1A1 (0.42) | ALDH1A1GAAMMP1MMP2MMP3 | |
| SCHEMBL6874383 | 0.79 | MCL1 (0.36) | MCL1 | |
| SCHEMBL10106480 | 0.77 | ALDH1A1 (0.41) | ALDH1A1GAAMMP1MMP2MMP3 | |
| SCHEMBL27426652 | 0.77 | ALDH1A1 (0.41) | ALDH1A1GAAMMP1MMP2MMP3 | |
| SCHEMBL14817327 | 0.77 | ALDH1A1 (0.41) | ALDH1A1GAAMMP1MMP2MMP3 | |
| SCHEMBL5072768 | 0.77 | LMNA (0.33) | SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004065305-A1 | NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE | UNIVERSITY OF DAYTON (US) | 2004-08-05 | — | — | WO | disclosed |
| US-4354979-A | Preparation of aliphatic isocyanates | BASF AKTIENGESELLSCHAFT (DE) | 1982-10-19 | — | — | US | disclosed |