Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.49 |
| ▸ | CA1 | P00915 | 4/20 | 0.49 |
| ▸ | CA2 | P00918 | 4/20 | 0.49 |
| ▸ | CA7 | P43166 | 4/20 | 0.49 |
| ▸ | CA9 | Q16790 | 4/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8674319 | 0.75 | CA12 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29704385 | 0.73 | TOP2A (0.47) | KDM4EHSD17B10PIN1LMNATSHR | |
| SCHEMBL19644298 | 0.73 | TOP2A (0.47) | KDM4EHSD17B10PIN1LMNATSHR | |
| SCHEMBL160098 | 0.73 | CA12 (0.77) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8655395 | 0.73 | ALDH1A1 (0.45) | CYP3A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL27033003 | 0.71 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27033243 | 0.70 | FGFR1 (0.33) | KDM4EHSD17B10XDHLMNAMTNR1A | |
| SCHEMBL8980290 | 0.69 | PIN1 (0.39) | CA1CA2KDM4EHSD17B10XDH | |
| SCHEMBL28508446 | 0.69 | PIN1 (0.50) | CA1CA2CA9KDM4EHSD17B10 | |
| SCHEMBL161350 | 0.68 | CA12 (0.68) | CA12CA1CA2CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5770544-A | TRIAZINES | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1998-06-23 | — | — | US | disclosed |
| US-5616537-A | Condensed heterocyclic derivatives and herbicides | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1997-04-01 | — | — | US | disclosed |
| EP-0606489-A1 | CONDENSED HETEROCYCLIC DERIVATIVE AND WEEDKILLER | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1994-07-20 | — | — | EP | disclosed |