Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.51 |
| ▸ | CES1 | P23141 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8125164 | 0.82 | MAPK1 (0.47) | ALDH1A1CES2CES1TSHRMEN1 | |
| SCHEMBL14974757 | 0.77 | ALDH1A1 (0.53) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL15159788 | 0.75 | ALDH1A1 (0.67) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL5150143 | 0.75 | CES2 (0.66) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL8125704 | 0.74 | ALDH1A1 (0.60) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL31388927 | 0.74 | CES2 (0.59) | ALDH1A1CES2CES1TP53TSHR | |
| Dinitrophenylene SCHEMBL27485048 | 0.72 | TSHR (0.77) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL8026063 | 0.72 | CES2 (0.56) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL8026060 | 0.72 | CES2 (0.56) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL7645485 | 0.71 | ALDH1A1 (0.76) | ALDH1A1CES2CES1TP53TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0819129-B1 | PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | NOVARTIS AG (CH) | 2000-08-02 | — | — | EP | disclosed |
| US-5981533-A | INHIBIT THE TYROSINE KINASE ACTIVITY OF THE RECEPTOR FOR EPIDERMAL GROWTH FACTOR AND CAN BE USED IN THE CASE OF EPIDERMAL HYPERPROLIFERATION (PSORIASIS) AND AS ANTI-TUMOR AGENTS | NOVARTIS AG (CH) | 1999-11-09 | — | — | US | disclosed |
| WO-1998014449-A1 | FUSED PYRAZOLE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | NOVARTIS AG (CH) | 1998-04-09 | — | — | WO | disclosed |
| EP-0819129-A1 | PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | Novartis AG (CH) | 1998-01-21 | — | — | EP | disclosed |
| WO-1996031510-A1 | PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | NOVARTIS AG (CH) | 1996-10-10 | — | — | WO | disclosed |