Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.61 |
| ▸ | CA1 | P00915 | 4/20 | 0.61 |
| ▸ | CA9 | Q16790 | 4/20 | 0.61 |
| ▸ | CA2 | P00918 | 3/20 | 0.61 |
| ▸ | MGLL | Q99685 | 1/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | GSDMD | P57764 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.46 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.37 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4786316 | 1.00 | CA12 (0.61) | CA12CA1CA9CA2MGLL | |
| SCHEMBL2496734 | 1.00 | CA12 (0.61) | CA12CA1CA9CA2MGLL | |
| SCHEMBL11889743 | 1.00 | CA12 (0.61) | CA12CA1CA9CA2MGLL | |
| SCHEMBL4740290 | 1.00 | CA12 (0.61) | CA12CA1CA9CA2MGLL | |
| SCHEMBL2917569 | 1.00 | CA12 (0.61) | CA12CA1CA9CA2MGLL | |
| SCHEMBL6291871 | 1.00 | CA12 (0.61) | CA12CA1CA9CA2MGLL | |
| SCHEMBL5085486 | 1.00 | CA12 (0.61) | CA12CA1CA9CA2MGLL | |
| SCHEMBL2922927 | 1.00 | CA12 (0.61) | CA12CA1CA9CA2MGLL | |
| SCHEMBL8772559 | 1.00 | CA12 (0.61) | CA12CA1CA9CA2MGLL | |
| SCHEMBL4742139 | 1.00 | CA12 (0.61) | CA12CA1CA9CA2MGLL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008092945-A1 | ORGANIC MOLYBDENUM COMPOUNDS AND LUBRICATING COMPOSITIONS COMPRISING SAID COMPOUNDS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2008-08-07 | — | — | WO | disclosed |