Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.64 |
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | PNLIP | P16233 | 1/20 | 0.33 |
| ▸ | UGT2B7 | P16662 | 6/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Isoabienol SCHEMBL20640862 | 0.86 | ALDH1A1 (0.64) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5704327 | 0.84 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL4780642 | 0.84 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL16984792 | 0.83 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL16984810 | 0.83 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL16816911 | 0.83 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL18949251 | 0.83 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL18216691 | 0.83 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL16816912 | 0.83 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL23868641 | 0.82 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1253909-B1 | PHARMACEUTICAL FORMULATIONS COMPRISING LABDANES FOR THE TREATMENT OF TUMORS OR LEUKEMIAS | MEDEXIS S A (GR) | 2006-09-06 | — | — | EP | disclosed |
| EP-1253909-A2 | PHARMACEUTICAL FORMULATIONS COMPRISING LABDANES FOR THE TREATMENT OF TUMORS OR LEUKEMIAS | P.N. GEROLYMATOS S.A. (GR) | 2002-11-06 | — | — | EP | disclosed |
| WO-2001034116-A2 | PHARMACEUTICAL FORMULATIONS COMPRISING LABDANES FOR THE TREATMENT OF TUMORS OR LEUKEMIAS | P.N. GEROLYMATOS S.A. (GR) | 2001-05-17 | — | — | WO | disclosed |