Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | TPMT | P51580 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12554693 | 0.88 | CA12 (0.45) | CA12CA1CA2CA4CA6 | |
| SCHEMBL8940576 | 0.87 | CA12 (0.51) | CA12CA1CA2CA4CA6 | |
| SCHEMBL8693327 | 0.86 | MAPK1 (0.40) | CA1CA2TSHRHTTALDH1A1 | |
| SCHEMBL7517428 | 0.85 | NOTUM (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4129848 | 0.84 | HTT (0.49) | CA12CA1CA2CA4CA6 | |
| SCHEMBL3964477 | 0.84 | HTT (0.58) | CA12CA1CA2CA4CA6 | |
| SCHEMBL4339762 | 0.83 | TSHR (0.47) | CA12CA1CA2CA4CA6 | |
| SCHEMBL2914020 | 0.83 | CA12 (0.65) | CA12CA1CA2CA4CA6 | |
| SCHEMBL1975152 | 0.83 | CA12 (0.65) | CA12CA1CA2CA4CA6 | |
| SCHEMBL29286539 | 0.81 | TTR (0.50) | CA12CA1CA2CA4CA6 |
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-5831073-A | Ion triggered alkylation of biological targets by silyloxy aromatic agents | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1998-11-03 | — | — | US | disclosed |
| US-5493012-A | Ion triggered alkylation of biological targets by silyloxy aromatic agents | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1996-02-20 | — | — | US | disclosed |