Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CMA1 | P23946 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11332488 | 0.88 | CYP2A6 (0.43) | KDM4ECYP2A6CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL6582757 | 0.87 | KDM4E (0.46) | KDM4ECYP2D6CHRNA7ACHEALDH1A1 | |
| SCHEMBL5008100 | 0.79 | CYP1A2 (0.51) | KDM4ECYP2A6ALDH1A1MAPTHPGD | |
| SCHEMBL16472556 | 0.77 | CYP3A4 (0.44) | KDM4ECYP2D6CHRNA7ACHEALDH1A1 | |
| SCHEMBL9739665 | 0.73 | KDM4E (0.60) | KDM4ECYP2D6CHRNA7ACHEALDH1A1 | |
| SCHEMBL8493767 | 0.73 | CYP2A6 (0.50) | CYP2A6ALDH1A1MEN1KMT2ACYP3A4 | |
| SCHEMBL1618660 | 0.72 | CHRNA7 (0.50) | KDM4ECYP2D6CHRNA7ALDH1A1HSD17B10 | |
| SCHEMBL10163669 | 0.72 | CHRNA7 (0.50) | KDM4ECYP2D6CHRNA7ACHEALDH1A1 | |
| SCHEMBL3267412 | 0.71 | CYP2A6 (0.48) | CYP2A6CYP3A4CYP1A2CYP2C9CYP11B1 | |
| SCHEMBL9343062 | 0.71 | CYP2A6 (0.48) | KDM4ECYP2A6ALDH1A1HSD17B10MAPT |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7709526-B2 | Use of cyclolignans and new cyclolignans | BIOVITRUM AB (SE) | 2010-05-04 | — | — | US | disclosed |
| US-7709526-B2 | Use of cyclolignans and new cyclolignans | BIOVITRUM AB (SE) | 2010-05-04 | — | — | US | disclosed |
| EP-1042294-B1 | HETEROCYCLIC CYTOTOXIC AGENTS | UNIV RUTGERS (US) | 2004-08-11 | — | — | EP | disclosed |
| US-6486167-B1 | Heterocyclic cytotoxic agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2002-11-26 | — | — | US | disclosed |
| US-6140328-A | FOR TREATING TUMOR | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2000-10-31 | — | — | US | disclosed |
| EP-1042294-A1 | HETEROCYCLIC CYTOTOXIC AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999031067-A1 | HETEROCYCLIC CYTOTOXIC AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 1999-06-24 | — | — | WO | disclosed |
| US-4267178-A | AS ANTIHYPERTENSIVE AGENTS | SCIENCE UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MED. (FR) | 1981-05-12 | — | — | US | disclosed |
| US-4239903-A | ANTISPASMODIC AGENTS | DAIICHI SEIYAKU CO., LTD. (JP) | 1980-12-16 | — | — | US | disclosed |