Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | PKLR | P30613 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | COMT | P21964 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 4/20 | 0.37 |
| ▸ | CTSS | P25774 | 4/20 | 0.37 |
| ▸ | CTSK | P43235 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CTSB | P07858 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1847833 | 0.85 | PKM (0.56) | PKMPKLRCYP3A4CYP2C9TSHR | |
| SCHEMBL6616459 | 0.83 | TSHR (0.56) | PKMPKLRCYP3A4CYP2C9TSHR | |
| SCHEMBL12655896 | 0.80 | PKM (0.52) | PKMPKLRCYP3A4CYP2C9TSHR | |
| SCHEMBL21772096 | 0.79 | PKM (0.45) | PKMPKLRCYP3A4TSHRKDM4E | |
| SCHEMBL5093011 | 0.79 | PKM (0.43) | PKMPKLRCYP3A4CYP2C9TSHR | |
| SCHEMBL4768241 | 0.76 | CTSK (0.45) | PKMPKLRCTSLCTSSCTSK | |
| SCHEMBL8336654 | 0.76 | CTSK (0.45) | PKMPKLRHTR6CTSLCTSS | |
| SCHEMBL6559756 | 0.74 | TSHR (0.38) | CYP3A4CYP2C9TSHRCYP2C19KDM4E | |
| SCHEMBL6559984 | 0.74 | KMT2A (0.62) | PKMPKLRCYP3A4CYP2C9TSHR | |
| SCHEMBL8334693 | 0.73 | CTSK (0.44) | CTSLCTSSCTSKCTSB |
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-1436255-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | Aventis Pharmaceuticals, Inc. (US) | 2004-07-14 | — | — | EP | disclosed |
| WO-2004017911-A2 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-03-04 | — | — | WO | disclosed |
| WO-2003024924-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2003-03-27 | — | — | WO | disclosed |