Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 3/20 | 0.57 |
| ▸ | CTSS | P25774 | 3/20 | 0.57 |
| ▸ | CTSB | P07858 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | CTSK | P43235 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CASP3 | P42574 | 2/20 | 0.48 |
| ▸ | MME | P08473 | 1/20 | 0.46 |
| ▸ | ECE1 | P42892 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5689754 | 1.00 | CTSL (0.57) | CTSLCTSSCTSBCYP3A4CYP2D6 | |
| SCHEMBL11795571 | 0.90 | KDM4E (0.52) | CTSLCTSSCTSBMEN1KMT2A | |
| SCHEMBL11517121 | 0.81 | CTSK (0.63) | CTSLCTSSCTSBCTSK | |
| SCHEMBL3728055 | 0.81 | CTSL (0.53) | CTSLCTSSCTSBCYP3A4CYP2D6 | |
| SCHEMBL8662503 | 0.81 | CTSB (0.70) | CTSLCTSSCTSBCYP3A4CYP2D6 | |
| SCHEMBL3741299 | 0.80 | CTSL (0.57) | CTSLCTSSCTSBCYP3A4CYP2D6 | |
| SCHEMBL27310595 | 0.80 | CYP3A4 (0.69) | CTSLCTSSCTSBCYP3A4CYP2D6 | |
| SCHEMBL24734375 | 0.80 | CTSL (0.71) | CTSLCTSSCTSBCYP3A4CYP2D6 | |
| SCHEMBL7264750 | 0.80 | CTSL (0.71) | CTSLCTSSCTSBCYP3A4CYP2D6 | |
| SCHEMBL221435 | 0.80 | CTSL (0.71) | CTSLCTSSCTSBCYP3A4CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0979241-B1 | (3R)-3-AMINO-4-CARBOXYBUTYRALDEHYDE DERIVATIVES INHIBITING THE RELEASE OF INTERLEUKIN-1/BETA | IVAX DRUG RES INST LTD (HU) | 2006-03-01 | — | — | EP | disclosed |
| US-6593300-B1 | Inhibitors of the interleukin-1 beta converting enzyme | GYOGYSZERKUTATO INTEZET KFT. (HU) | 2003-07-15 | — | — | US | disclosed |
| EP-0979241-A1 | (3R)-3-AMINO-4-CARBOXYBUTYRALDEHYDE DERIVATIVES INHIBITING THE RELEASE OF INTERLEUKIN-1/BETA | GYOGYSZERKUTATO INTEZET KFT. (HU) | 2000-02-16 | — | — | EP | disclosed |
| WO-1998049189-A1 | (3R)-3-AMINO-4-CARBOXYBUTYRALDEHYDE DERIVATIVES INHIBITING THE RELEASE OF INTERLEUKIN-1/BETA | Gyógyszerkutató Intézet Kft. (HU) | 1998-11-05 | — | — | WO | disclosed |