Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.48 |
| ▸ | CA1 | P00915 | 5/20 | 0.48 |
| ▸ | CA2 | P00918 | 5/20 | 0.48 |
| ▸ | CA7 | P43166 | 5/20 | 0.48 |
| ▸ | CA9 | Q16790 | 5/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | LCK | P06239 | 2/20 | 0.43 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.42 |
| ▸ | RGS12 | O14924 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.41 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28524315 | 0.82 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27613088 | 0.80 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28126806 | 0.80 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL39010 | 0.80 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL38654957 | 0.79 | ALDH1A1 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2652361 | 0.79 | ALDH1A1 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3873135 | 0.78 | CA12 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27658957 | 0.78 | CA12 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27517848 | 0.78 | CA12 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27594911 | 0.78 | CA12 (0.47) | 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-5071965-A | NOVEL TC-99M COMPLEXES | MALLINCKRODT MEDICAL, INC. (US) | 1991-12-10 | — | — | US | disclosed |