Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Oxirane SCHEMBL11226649 | 0.87 | CA2 (0.40) | CA1CA2ALDH1A1TSHRRECQL | |
| Oxirane SCHEMBL11176951 | 0.85 | CA1 (0.39) | CA1CA2ALDH1A1TSHR | |
| Oxirane SCHEMBL9456259 | 0.83 | CA1 (0.37) | CA1CA2ALDH1A1TSHR | |
| Fluoride SCHEMBL28917842 | 0.82 | — | — | |
| Morpholine SCHEMBL5973028 | 0.80 | MEN1 (0.41) | CA1CA2TSHR | |
| SCHEMBL7214 | 0.79 | — | — | |
| Morpholine SCHEMBL28319553 | 0.79 | MEN1 (0.39) | CA1CA2TSHR | |
| SCHEMBL11204885 | 0.79 | TSHR (0.42) | ALDH1A1TSHRLMNAPOLBRECQL | |
| SCHEMBL4429080 | 0.77 | TSHR (0.41) | ALDH1A1TSHRLMNAPOLBRECQL | |
| Fluoride SCHEMBL28480306 | 0.77 | CA2 (0.43) | CA1CA2TSHR |
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-5618956-A | Asymmetrically substituted metallocenes which are functionalized on one cyclopentadienyl ring, and their preparation | WITCO GMBH (DE) | 1997-04-08 | — | — | US | disclosed |