Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 6/20 | 0.38 |
| ▸ | CTSS | P25774 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 2/20 | 0.33 |
| ▸ | CTSB | P07858 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6660154 | 0.95 | EPHX1 (0.40) | EPHX1CTSKCTSSTDP1CHRM2 | |
| SCHEMBL5405774 | 0.70 | EPHX1 (0.55) | EPHX1CTSKCTSSTDP1MEN1 | |
| SCHEMBL18770579 | 0.70 | TDP1 (0.47) | EPHX1CTSKCTSSTDP1MEN1 | |
| SCHEMBL24899376 | 0.69 | MEN1 (0.56) | EPHX1TDP1MEN1KMT2AGAA | |
| SCHEMBL24951947 | 0.69 | EPHX1 (0.54) | EPHX1CTSKCTSSTDP1CHRM2 | |
| SCHEMBL6657069 | 0.68 | CTSS (0.48) | CTSKCTSSCTSLCTSB | |
| SCHEMBL6896596 | 0.68 | EPHX1 (0.56) | EPHX1CTSKCTSSTDP1CHRM2 | |
| SCHEMBL3924144 | 0.68 | TDP1 (0.49) | EPHX1TDP1MEN1KMT2AGAA | |
| SCHEMBL16424353 | 0.67 | PTPRB (0.42) | EPHX1CTSKCTSSTDP1CHRM2 | |
| SCHEMBL24899380 | 0.67 | TDP1 (0.45) | EPHX1CTSKTDP1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1434769-A2 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2004-07-07 | — | — | EP | disclosed |
| WO-2003029200-A2 | COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2003-04-10 | — | — | WO | disclosed |