Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.67 |
| ▸ | CA1 | P00915 | 4/20 | 0.67 |
| ▸ | CA2 | P00918 | 4/20 | 0.67 |
| ▸ | CA7 | P43166 | 4/20 | 0.67 |
| ▸ | CA9 | Q16790 | 4/20 | 0.67 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.67 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL147955 | 0.98 | CA12 (0.70) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29508769 | 0.98 | CA12 (0.70) | CA12CA1CA2CA7CA9 | |
| Ammonia Solution, Strong SCHEMBL25334556 | 0.96 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| Acetaldehyde SCHEMBL28045506 | 0.90 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| Metacresol SCHEMBL20505362 | 0.84 | CYP1A2 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL355272 | 0.84 | TDP1 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9555990 | 0.82 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8959286 | 0.82 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6916435 | 0.81 | TDP1 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6916441 | 0.81 | TDP1 (0.59) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030045710-A1 | Methods for identifying, obtaining and using new polyketide compounds | NATIONAL SCIENCE FOUNDATION | 2003-03-06 | — | — | US | disclosed |