Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.41 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10842026 | 1.00 | CYP2C19 (0.50) | CYP2C19GAAELANETNFKLF5 | |
| SCHEMBL10173004 | 0.84 | TNF (0.57) | GAATNFKLF5NOD1USP2 | |
| SCHEMBL11321880 | 0.82 | AAK1 (0.46) | ELANETNFKLF5NOD1USP2 | |
| SCHEMBL25314654 | 0.78 | CYP2C19 (0.58) | CYP2C19GAAELANETNFKLF5 | |
| SCHEMBL11521468 | 0.78 | CYP2C19 (0.58) | CYP2C19GAAELANETNFKLF5 | |
| SCHEMBL11324498 | 0.77 | CES2 (0.46) | CYP2C19ELANETNFKLF5NOD1 | |
| SCHEMBL11324501 | 0.77 | CES2 (0.46) | CYP2C19ELANETNFKLF5NOD1 | |
| SCHEMBL7045591 | 0.77 | ELANE (0.41) | CYP2C19ELANETNFKLF5NOD1 | |
| SCHEMBL7130236 | 0.76 | CYP2C19 (0.60) | CYP2C19GAATNFKLF5NOD1 | |
| SCHEMBL22758099 | 0.76 | CYP2C19 (0.60) | CYP2C19GAATNFKLF5NOD1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4593098-A | Piperazinone and piperazine polypeptides | THE UPJOHN COMPANY (US) | 1986-06-03 | — | — | US | disclosed |
| US-4534897-A | Piperazinone, piperazine, 1,4-diazepin-2-one and 1,4-diazepine intermediate compounds | THE UPJOHN COMPANY (US) | 1985-08-13 | — | — | US | disclosed |
| US-4251438-A | ANALGESICS, PSYCHOTHERAPEUTIC AGENTS | THE UPJOHN COMPANY (US) | 1981-02-17 | — | — | US | disclosed |