Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 16/20 | 0.59 |
| ▸ | CA1 | P00915 | 15/20 | 0.59 |
| ▸ | CA9 | Q16790 | 15/20 | 0.59 |
| ▸ | CA12 | O43570 | 7/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.59 |
| ▸ | CA4 | P22748 | 4/20 | 0.59 |
| ▸ | CA6 | P23280 | 3/20 | 0.59 |
| ▸ | CA7 | P43166 | 3/20 | 0.59 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.59 |
| ▸ | CA5A | P35218 | 2/20 | 0.59 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.55 |
| ▸ | CDK1 | P06493 | 1/20 | 0.55 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.55 |
| ▸ | CDK2 | P24941 | 1/20 | 0.55 |
| ▸ | CDK7 | P50613 | 1/20 | 0.55 |
| ▸ | CDK9 | P50750 | 1/20 | 0.55 |
| ▸ | CCNH | P51946 | 1/20 | 0.55 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | IKBKB | O14920 | 2/20 | 0.52 |
| ▸ | DKK1 | O94907 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL27587969 | 0.83 | CA2 (0.58) | CA2CA1CA9CA12CA14 | |
| SCHEMBL3838873 | 0.83 | CA1 (0.62) | CA2CA1CA9CA12CA14 | |
| SCHEMBL1652316 | 0.81 | IKBKB (0.64) | CA2CA1CA9CA12CA14 | |
| SCHEMBL24477620 | 0.79 | CA2 (0.55) | CA2CA1CA9CA12CA14 | |
| SCHEMBL1866178 | 0.79 | CDK2 (0.59) | CA2CA1CA9CA12CA14 | |
| SCHEMBL14264262 | 0.78 | CA1 (0.86) | CA2CA1CA9CA12CA14 | |
| SCHEMBL12725666 | 0.78 | CA2 (0.54) | CA2CA1CA9CA12CA14 | |
| SCHEMBL18590747 | 0.78 | HDAC3 (0.61) | CDK1CDK2 | |
| SCHEMBL24477607 | 0.77 | CA2 (0.59) | CA2CA1CA9CA12CA14 | |
| SCHEMBL2004300 | 0.77 | CA1 (0.69) | CA2CA1CA9CA12CA14 |
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-4315931-A | MICROBIOCIDES, INFECTIOUS DISEASES | BASF AKTIENGESELLSCHAFT (DE) | 1982-02-16 | — | — | US | claimed |
| CN-1407973-A | Butynediol Derivatives | ACTELION PHARMACEUTICALS LTD (CH) | 2003-04-02 | — | — | CN | disclosed |