Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7362256 | 0.87 | TSHR (0.44) | TSHRCES2CES1AKR1B1TRPA1 | |
| SCHEMBL11908722 | 0.81 | TSHR (0.47) | TSHRCES2CES1AKR1B1TRPA1 | |
| SCHEMBL3245857 | 0.80 | TSHR (0.50) | TSHRCES2CES1AKR1B1TRPA1 | |
| SCHEMBL7361543 | 0.79 | MAOA (0.46) | TSHRTAAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL5074359 | 0.78 | TSHR (0.48) | TSHRCES2CES1AKR1B1TRPA1 | |
| SCHEMBL9534989 | 0.78 | MAOB (0.38) | TSHRCES2CES1AKR1B1TRPA1 | |
| SCHEMBL331007 | 0.76 | TSHR (0.57) | TSHRCES2CES1AKR1B1POLB | |
| SCHEMBL13302597 | 0.76 | TSHR (0.47) | TSHRCES2CES1AKR1B1TRPA1 | |
| SCHEMBL22338912 | 0.75 | TSHR (0.50) | TSHRCES2CES1AKR1B1TRPA1 | |
| SCHEMBL9129968 | 0.75 | TSHR (0.46) | TSHRCES2CES1AKR1B1TRPA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998028324-A9 | STEROIDS SUBSTITUTED IN POSITION 11, METHOD OF PREPARATION, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | — | 1998-10-29 | — | — | WO | disclosed |
| EP-0722436-A4 | MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS | UNIV FLORIDA STATE (US) | 1996-11-20 | — | — | EP | disclosed |
| EP-0722436-A1 | MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS | FLORIDA STATE UNIVERSITY (US) | 1996-07-24 | — | — | EP | disclosed |
| WO-1995009833-A1 | MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS | FLORIDA STATE UNIVERSITY (US) | 1995-04-13 | — | — | WO | disclosed |
| US-5294720-A | Viricides | THE DUPONT MERCK PHARMACEUTICAL CO. (US) | 1994-03-15 | — | — | US | disclosed |