Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 4/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | CTSB | P07858 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | TOP2A | P11388 | 2/20 | 0.47 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL21225960 | 1.00 | CASP1 (0.54) | CASP1ALDH1A1KDM4EHPGDHTT | |
| SCHEMBL7453123 | 0.82 | ALDH1A1 (0.48) | ALDH1A1KDM4EHPGDPGRGAA | |
| SCHEMBL1286216 | 0.80 | ELANE (0.59) | CTSKCTSLCTSBCTSSATM | |
| SCHEMBL7776373 | 0.80 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDPGRGAA | |
| SCHEMBL11351557 | 0.80 | CASP1 (0.50) | CASP1ALDH1A1KDM4EHPGDHTT | |
| SCHEMBL10626573 | 0.80 | NMBR (0.56) | CASP1ALDH1A1KDM4EHPGDHTT | |
| SCHEMBL11346894 | 0.80 | NMBR (0.56) | CASP1ALDH1A1KDM4EHPGDHTT | |
| SCHEMBL7527715 | 0.80 | EPHX2 (0.57) | ALDH1A1KDM4EHPGDHTTPGR | |
| SCHEMBL4320298 | 0.80 | EPHX2 (0.57) | ALDH1A1KDM4EHPGDHTTPGR | |
| SCHEMBL30946598 | 0.80 | CTSK (0.61) | CTSKCTSLCTSBCTSSATM |
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 |
|---|---|---|---|---|---|---|---|
| US-5959123-A | REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS | SYNPHAR LABORATORIES, INC. (CA) | 1999-09-28 | — | — | US | claimed |
| WO-2019151243-A1 | KIT HAVING PERIPHERAL-CIRCLE COMPATIBLE SCALING STRUCTURE FOR TESTING SOMATIC CELLS IN RAW MILK | 株式会社キコーコーポレーション | 2019-08-08 | — | — | WO | disclosed |
| EP-1427418-A4 | PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS AND METHODS OF TREATMENT | UNIV YALE (US) | 2004-11-17 | — | — | EP | disclosed |
| EP-1427418-A2 | PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS AND METHODS OF TREATMENT | YALE UNIVERSITY (US) | 2004-06-16 | — | — | EP | disclosed |
| WO-2003017939-A2 | PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS AND METHODS OF TREATMENT | YALE UNIVERSITY (US) | 2003-03-06 | — | — | WO | disclosed |