Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.54 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.52 |
| ▸ | FNTA | P49354 | 1/20 | 0.48 |
| ▸ | FNTB | P49356 | 1/20 | 0.48 |
| ▸ | ABAT | P80404 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | BLM | P54132 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10524113 | 0.81 | CA2 (0.58) | CA2CAMK2AESR1ESR2FNTA | |
| SCHEMBL10971637 | 0.81 | CA2 (0.52) | CA2CAMK2AESR1ESR2FNTA | |
| SCHEMBL8135240 | 0.79 | CA2 (0.60) | CA2CAMK2AESR1ESR2FNTA | |
| SCHEMBL6522029 | 0.72 | CA2 (0.54) | CA2CAMK2AESR1ESR2FNTA | |
| SCHEMBL7150590 | 0.72 | CA2 (0.68) | CA2CAMK2AESR1ESR2FNTA | |
| Anolignan B SCHEMBL23268876 | 0.72 | CA2 (0.54) | CA2CAMK2AESR1ESR2FNTA | |
| SCHEMBL3076928 | 0.71 | — | — | |
| SCHEMBL10702370 | 0.70 | CA2 (0.58) | CA2CAMK2AESR1ESR2FNTA | |
| SCHEMBL21114405 | 0.70 | CA2 (1.00) | CA2CAMK2AESR1ESR2FNTA | |
| SCHEMBL8964346 | 0.70 | CA2 (0.52) | CA2CAMK2AESR1ESR2FNTA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0140298-B1 | SUBSTITUTED 4-HYDROXYBENZYLTHIOALDEHYDES AND KETONES | CIBA-GEIGY AG (CH) | 1987-01-28 | — | — | EP | disclosed |
| EP-0140298-A1 | Substituted 4-hydroxybenzylthioaldehydes and ketones | CIBA-GEIGY AG (CH) | 1985-05-08 | — | — | EP | disclosed |