Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| SCHEMBL17120970 | 0.83 | MMP1 (0.43) | ALDH1A1GAASMN1; SMN2MMP1MMP2 | |
| SCHEMBL7076403 | 0.80 | ALDH1A1 (0.33) | ALDH1A1GAASMN1; SMN2MMP1MMP2 | |
| SCHEMBL8172250 | 0.78 | — | — | |
| SCHEMBL967318 | 0.78 | — | — | |
| SCHEMBL5470221 | 0.77 | ALDH1A1 (0.42) | CHRNB2CHRNB4CHRNA4ALDH1A1TSHR | |
| SCHEMBL18410285 | 0.73 | ALDH1A1 (0.33) | CHRNB2CHRNB4CHRNA4ALDH1A1SMN1; SMN2 | |
| SCHEMBL28141911 | 0.73 | ALDH1A1 (0.42) | ALDH1A1GAASMN1; SMN2MMP1MMP2 | |
| SCHEMBL9379383 | 0.73 | ALDH1A1 (0.38) | ALDH1A1GAASMN1; SMN2MMP1MMP2 | |
| SCHEMBL2605837 | 0.73 | ALDH1A1 (0.38) | ALDH1A1GAASMN1; SMN2MMP1MMP2 | |
| SCHEMBL10578591 | 0.71 | ALDH1A1 (0.44) | ALDH1A1GAASMN1; SMN2MMP1MMP2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140895-B1 | THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP | FUJISAWA PHARMACEUTICAL CO (JP) | 2004-03-24 | — | — | EP | disclosed |
| EP-1140895-A2 | THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000040576-A2 | THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-07-13 | — | — | WO | disclosed |