Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | CA4 | P22748 | 4/20 | 0.36 |
| ▸ | CA6 | P23280 | 4/20 | 0.36 |
| ▸ | CA5A | P35218 | 4/20 | 0.36 |
| ▸ | CA7 | P43166 | 4/20 | 0.36 |
| ▸ | CA9 | Q16790 | 4/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.36 |
| ▸ | F13A1 | P00488 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | THPO | P40225 | 2/20 | 0.36 |
| ▸ | CASP2 | P42575 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9835909 | 0.94 | CA12 (0.46) | CA12CA2CA4CA6CA5A | |
| SCHEMBL9827607 | 0.92 | CA12 (0.52) | CA12CA2CA4CA6CA5A | |
| SCHEMBL10749893 | 0.81 | PKM (0.33) | PKM | |
| SCHEMBL9834907 | 0.77 | CA12 (0.44) | CA12CA2CA4CA6CA5A | |
| SCHEMBL9826796 | 0.75 | CA12 (0.39) | CA12CA2CA4CA6CA5A | |
| SCHEMBL9827570 | 0.75 | CA12 (0.39) | CA12CA2CA4CA6CA5A | |
| SCHEMBL9826573 | 0.74 | CA12 (0.46) | CA12CA2CA4CA6CA5A | |
| SCHEMBL9836503 | 0.71 | CA12 (0.48) | CA12CA2CA4CA6CA5A | |
| SCHEMBL9836507 | 0.70 | CA12 (0.50) | CA12CA2CA4CA6CA5A | |
| SCHEMBL9837505 | 0.70 | CA12 (0.50) | CA12CA2CA4CA6CA5A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0220409-B1 | GEM-DIHALO AND TETRAHALO-1,12-DIAMINO-4,9-DIAZA-DODECANES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-11-27 | — | — | EP | disclosed |
| US-4778926-A | ANTITUMOR AND ANTIGROWTH AGENTS; CHEMICAL INTERMEDIATES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-10-18 | — | — | US | disclosed |
| US-4719313-A | ANTITUMOR | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-01-12 | — | — | US | disclosed |