Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7369705 | 0.87 | TSHR (0.50) | TSHRCES2CES1AKR1B1KMT2A | |
| SCHEMBL7394095 | 0.77 | TSHR (0.46) | TSHRCES2CES1AKR1B1ALDH1A1 | |
| SCHEMBL106992 | 0.75 | TSHR (0.53) | TSHRCES2CES1AKR1B1ALDH1A1 | |
| SCHEMBL11908722 | 0.74 | TSHR (0.47) | TSHRCES2CES1AKR1B1ALDH1A1 | |
| Phenylacetic Acid SCHEMBL28235727 | 0.73 | AKR1B1 (0.68) | TSHRCES2CES1AKR1B1ALDH1A1 | |
| SCHEMBL448700 | 0.73 | CES2 (0.68) | TSHRCES2CES1AKR1B1ALDH1A1 | |
| SCHEMBL3245857 | 0.73 | TSHR (0.50) | TSHRCES2CES1AKR1B1KMT2A | |
| SCHEMBL9354964 | 0.72 | TSHR (0.50) | TSHRCES2CES1AKR1B1ALDH1A1 | |
| SCHEMBL9355881 | 0.72 | TSHR (0.50) | TSHRCES2CES1AKR1B1ALDH1A1 | |
| SCHEMBL7361543 | 0.72 | MAOA (0.46) | TSHRKMT2ASMN1; SMN2SLC6A2TAAR1 |
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-0722321-A4 | SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS | UNIV FLORIDA STATE (US) | 1998-04-15 | — | — | EP | disclosed |
| EP-0722321-A1 | SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS | FLORIDA STATE UNIVERSITY (US) | 1996-07-24 | — | — | EP | disclosed |
| WO-1995009620-A1 | SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS | FLORIDA STATE UNIVERSITY (US) | 1995-04-13 | — | — | WO | disclosed |