Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP7 | P09237 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL11701740 | 0.98 | CA2 (0.53) | CA2IDO1CA1CA12LMNA | |
| SCHEMBL28038799 | 0.95 | CA2 (0.52) | CA2IDO1CA1CA12LMNA | |
| SCHEMBL28294568 | 0.83 | CA2 (0.55) | CA2KDM4EALDH1A1 | |
| SCHEMBL10973386 | 0.79 | CA2 (0.51) | CA2MAPT | |
| SCHEMBL11091813 | 0.79 | CA2 (0.51) | CA2MAPT | |
| SCHEMBL8855379 | 0.79 | MGLL (0.59) | CA2CA1CA12CA7CA9 | |
| SCHEMBL302785 | 0.78 | CA2 (0.69) | CA2IDO1CA1CA12LMNA | |
| Phenylmethanesulfonic Acid SCHEMBL6959619 | 0.76 | CA2 (0.56) | CA2CA1CA12CA7CA9 | |
| SCHEMBL293747 | 0.76 | CA2 (0.55) | CA2IDO1CA1CA12LMNA | |
| SCHEMBL2938840 | 0.74 | FAAH (0.60) | CA2IDO1CA1CA12LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0974582-B1 | Process for the preparation of 4-substituted azetidinone derivatives | TAKASAGO PERFUMERY CO LTD (JP) | 2003-02-12 | — | — | EP | claimed |