Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5200207 | 0.78 | ALDH1A1 (0.54) | CA1CA2MMP2MMP1MMP9 | |
| SCHEMBL6729425 | 0.78 | MMP2 (0.53) | CA1CA2MMP2MMP1MMP9 | |
| SCHEMBL31046935 | 0.78 | CA2 (0.54) | CA1CA2SOS1ALDH1A1 | |
| SCHEMBL23043678 | 0.78 | ALDH1A1 (0.48) | LMNANPC1ALOX15CASP1ALDH1A1 | |
| SCHEMBL1368959 | 0.78 | CA1 (0.48) | CA1CA2MMP2MMP1MMP9 | |
| SCHEMBL25187156 | 0.78 | NPC1 (0.40) | MMP2LMNANPC1ALOX15CASP1 | |
| SCHEMBL2149310 | 0.78 | TSHR (0.54) | CA1CA2MMP2MMP1MMP9 | |
| SCHEMBL23057068 | 0.78 | CA1 (0.47) | CA1CA2MMP2MMP1MMP9 | |
| SCHEMBL11764655 | 0.78 | CA1 (0.45) | CA1CA2MMP2MMP1MMP9 | |
| SCHEMBL8794134 | 0.78 | LMNA (0.52) | CA1CA2LMNANPC1ALOX15 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008009816-A2 | AROMATIC SULFINATES AND SULFONYL HALIDES, AND THE PREPARATION THEREOF | INSTITUT NATIONAL POLYTECHNIQUE DE GRENOBLE (FR) | 2008-01-24 | — | — | WO | disclosed |
| US-5175302-A | Nucleophilic fluoroalkylation of aldehydes | ETHYL CORPORATION (US) | 1992-12-29 | — | — | US | disclosed |
| US-4999429-A | Process for the preparation of α,α,β-1-trifluoro-1-olefinic derivatives | ETHYL CORPORATION (US) | 1991-03-12 | — | — | US | disclosed |
| US-4837327-A | Process for nucleophilic fluoroalkylation of aldehydes | ETHYL CORPORATION (US) | 1989-06-06 | — | — | US | disclosed |