Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB5 | P28074 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 1/20 | 0.48 |
| ▸ | PAM | P19021 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ALPI | P09923 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | XIAP | P98170 | 1/20 | 0.47 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 1/20 | 0.47 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2722699 | 0.86 | ELANE (0.53) | PSMB5ALPIPKMPTGS1XIAP | |
| SCHEMBL1053745 | 0.86 | ELANE (0.53) | PSMB5ALPIPKMPTGS1XIAP | |
| SCHEMBL6250861 | 0.85 | PPARG (0.58) | PSMB5PPARGCYP1A2 | |
| SCHEMBL1533647 | 0.85 | PPARG (0.58) | PSMB5PPARGCYP1A2 | |
| SCHEMBL1533645 | 0.85 | PPARG (0.58) | PSMB5PPARGCYP1A2 | |
| SCHEMBL27880853 | 0.83 | ATM (0.60) | PSMB5ALDH1A1RAB9AL3MBTL1 | |
| SCHEMBL8318346 | 0.81 | TAAR1 (0.52) | ALDH1A1CTSSCTSKPAMNPC1 | |
| SCHEMBL2628426 | 0.81 | TAAR1 (0.52) | ALDH1A1CTSSCTSKPAMNPC1 | |
| SCHEMBL17793545 | 0.81 | ALDH1A1 (0.51) | ALDH1A1CTSSCTSKPAMNPC1 | |
| SCHEMBL28213489 | 0.81 | NAPRT (0.45) | PSMB5ALDH1A1NPC1RAB9APKM |
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-2552895-A1 | PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES | Westfälische Wilhelms-Universität Münster (DE) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011120861-A1 | PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES | WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) | 2011-10-06 | — | — | WO | disclosed |