Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 8/20 | 0.81 |
| ▸ | CA1 | P00915 | 8/20 | 0.81 |
| ▸ | CA2 | P00918 | 8/20 | 0.81 |
| ▸ | CA9 | Q16790 | 8/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11246926 | 0.91 | CA12 (0.67) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL4773010 | 0.90 | CA1 (1.00) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL11237994 | 0.87 | CA12 (0.60) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL4085333 | 0.80 | CA12 (0.80) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL5770948 | 0.80 | ALDH1A1 (0.77) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL11251792 | 0.80 | ALDH1A1 (0.56) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL1082403 | 0.79 | CA12 (0.77) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL11248031 | 0.79 | POLB (0.71) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL11245748 | 0.78 | SMN1; SMN2 (0.81) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL18392112 | 0.78 | CYP3A4 (0.68) | CA12CA1CA2CA9CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4337274-A | Flukicidal compounds | BURROUGHS WELLCOME CO. (US) | 1982-06-29 | — | — | US | claimed |
| US-4337274-A | Flukicidal compounds | BURROUGHS WELLCOME CO. (US) | 1982-06-29 | — | — | US | disclosed |