Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28223371 | 0.74 | CTSK (0.58) | CTSKALDH1A1CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL7768688 | 0.72 | TLR9 (0.46) | CTSKALDH1A1CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL3013104 | 0.69 | ALDH1A1 (0.80) | CTSKALDH1A1CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL149805 | 0.69 | CTSK (0.44) | CTSKALDH1A1CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL11038225 | 0.69 | CTSK (0.75) | CTSKALDH1A1CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL8778830 | 0.68 | ALDH1A1 (0.77) | ALDH1A1CYP2C9CYP3A4CYP2C19MCHR1 | |
| SCHEMBL28117496 | 0.68 | CTSK (0.43) | CTSKALDH1A1CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL11024014 | 0.67 | CTSK (0.61) | CTSKALDH1A1CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL9103003 | 0.66 | ALDH1A1 (0.74) | ALDH1A1CYP2C9CYP3A4CYP2C19MCHR1 | |
| SCHEMBL9099947 | 0.66 | ALDH1A1 (0.74) | ALDH1A1CYP2C9CYP3A4CYP2C19MCHR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1261583-A1 | INHIBITORS OF THE ICE/Ced-3 FAMILY OF CYSTEINE PROTEASES | Idun Pharmaceuticals, Inc. (US) | 2002-12-04 | — | — | EP | disclosed |
| EP-1210338-A2 | 1,4-DIAZEPINE DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE CENTRAL NERVOUS SYSTEM | IGT Pharma Inc. (CA) | 2002-06-05 | — | — | EP | disclosed |
| EP-1159291-A1 | C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES | Idun Pharmaceuticals, Inc. (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2001051462-A1 | INHIBITORS OF THE ICE/Ced-3 FAMILY OF CYSTEINE PROTEASES | IDUN PHARMACEUTICALS, INC. (US) | 2001-07-19 | — | — | WO | disclosed |
| WO-2001010846-A2 | 1,4-DIAZEPINE DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE CENTRAL NERVOUS SYSTEM | IGT PHARMA INC. (CA) | 2001-02-15 | — | — | WO | disclosed |
| WO-2001000658-A1 | C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES | IDUN PHARMACEUTICALS, INC. (US) | 2001-01-04 | — | — | WO | disclosed |