Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Methanesulfonic Acid Methyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.53 |
| ▸ | USP2 | O75604 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| Propylene Glycol SCHEMBL575555 | 0.80 | TDP1 (0.62) | TSHRTDP1ALDH1A1LMNATP53 | |
| Propylene Glycol SCHEMBL5696048 | 0.78 | TDP1 (0.40) | TDP1 | |
| Propylene Glycol SCHEMBL9334472 | 0.78 | TDP1 (0.59) | TSHRTDP1ALDH1A1LMNATP53 | |
| Methanesulfonic Acid Methyl Ester SCHEMBL27421563 | 0.78 | USP2 (0.59) | TSHRUSP2ALDH1A1KDM4ELMNA | |
| Propylene Glycol SCHEMBL443703 | 0.77 | TDP1 (0.67) | TSHRTDP1ALDH1A1KDM4ELMNA | |
| Propylene Glycol SCHEMBL11798142 | 0.77 | TDP1 (0.67) | TSHRTDP1ALDH1A1KDM4ELMNA | |
| Propylene Glycol SCHEMBL3441580 | 0.77 | TDP1 (0.67) | TSHRTDP1ALDH1A1KDM4ELMNA | |
| Propylene Glycol SCHEMBL8072957 | 0.76 | TDP1 (0.77) | TSHRTDP1ALDH1A1LMNAHSD17B10 | |
| Propylene Glycol SCHEMBL20478 | 0.76 | — | — | |
| Propylene Glycol SCHEMBL28302926 | 0.76 | TDP1 (0.77) | TSHRTDP1ALDH1A1LMNAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5558971-A | HYDROXYSTYRENE POLYMER DERIVATIVES, PHOTOACID GENERATOR | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-24 | — | — | US | disclosed |
| US-5558976-A | HYDROXYSTYRENE POLYMER DERIVATIVES, PHOTOACID GENERATOR, PHOTORESISTS | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-24 | — | — | US | disclosed |