Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6821752 | 0.78 | CA1 (0.45) | CA1CA2CA12CA7CA14 | |
| SCHEMBL6818498 | 0.75 | ALDH1A1 (0.55) | ALDH1A1CA1CA2TRPV1CA12 | |
| SCHEMBL4727587 | 0.72 | SIGMAR1 (0.60) | CA1CA2LMNACYP3A4HDAC3 | |
| SCHEMBL6821984 | 0.72 | PTPN1 (0.40) | ALDH1A1CA1CA2CA12CA7 | |
| SCHEMBL22526832 | 0.72 | CA1 (0.49) | CA1CA2CYP3A4HDAC1EPHX2 | |
| SCHEMBL9080237 | 0.71 | MEN1 (0.83) | ALDH1A1TRPV1LMNAMEN1KMT2A | |
| SCHEMBL6818212 | 0.71 | PPID (0.41) | ALDH1A1CA1CA2CA12CA7 | |
| SCHEMBL14102774 | 0.71 | CYP3A4 (0.75) | CA1CA2MEN1KMT2ACYP3A4 | |
| SCHEMBL22527035 | 0.71 | S1PR1 (0.51) | CA1CA2TRPV1CYP3A4HDAC1 | |
| SCHEMBL6820995 | 0.71 | SMN1; SMN2 (0.44) | ALDH1A1CA1CA2CA12CA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004050646-A1 | 1, 2, 5-THIADIAZOLIDIN-3-ONE 1, 1 DIOXIDE DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PTP1B | ASTRAZENECA AB (SE) | 2004-06-17 | — | — | WO | disclosed |