Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | WDR5 | P61964 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4702820 | 0.73 | KDM4E (0.49) | ALDH1A1TSHRHSD17B10TDP1KDM4E | |
| SCHEMBL30901145 | 0.69 | GPR84 (0.53) | CA12CA9DNMT1CES1PAX8 | |
| SCHEMBL1777121 | 0.69 | GPR84 (0.53) | CA12CA9DNMT1CES1PAX8 | |
| SCHEMBL18535400 | 0.69 | CA12 (0.49) | CA12CA9CA1CA2CA4 | |
| SCHEMBL20215747 | 0.69 | CA12 (0.61) | CA12CA9CA1CA2CA4 | |
| SCHEMBL22182915 | 0.67 | ALDH1A1 (0.39) | CA12CA9CA1CA2CA4 | |
| SCHEMBL21699652 | 0.67 | MAPT (0.40) | CA12CA9CA1CA2CA4 | |
| SCHEMBL7201275 | 0.67 | CYP1A2 (0.47) | CA12CA9CA1CA2CA4 | |
| SCHEMBL8988312 | 0.65 | ALDH1A1 (0.37) | ALDH1A1TSHRHSD17B10KDM4ELMNA | |
| SCHEMBL29448134 | 0.65 | CA12 (0.50) | CA12CA9CA1CA2CA4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0680466-B1 | PROCESS FOR PREPARING ISOCYANATES | MONSANTO CO (US) | 1997-08-27 | — | — | EP | disclosed |
| EP-0680466-A1 | PROCESS FOR PREPARING ISOCYANATES. | MONSANTO CO (US) | 1995-11-08 | — | — | EP | disclosed |
| US-5451697-A | Carbon dioxide and primary amine | MONSANTO COMPANY (US) | 1995-09-19 | — | — | US | disclosed |
| WO-1995018098-A1 | PROCESS FOR PREPARING ISOCYANATES | MONSANTO COMPANY (US) | 1995-07-06 | — | — | WO | disclosed |
| US-5349081-A | Dehydration, primary amine and carbon dioxide | MONSANTO COMPANY (US) | 1994-09-20 | — | — | US | disclosed |
| WO-1994017032-A1 | PROCESS FOR PREPARING ISOCYANATES | MONSANTO COMPANY (US) | 1994-08-04 | — | — | WO | disclosed |