Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7469699 | 0.75 | ALDH1A1 (0.35) | ALDH1A1MEN1KMT2AHPGDHSD17B10 | |
| SCHEMBL13179764 | 0.73 | ALDH1A1 (0.47) | ALDH1A1CES2BCHECES1MCL1 | |
| SCHEMBL7416433 | 0.71 | ALDH1A1 (0.43) | ALDH1A1BCHECES1MEN1KMT2A | |
| SCHEMBL2586177 | 0.67 | TDP1 (0.40) | ALDH1A1KMT2ACYP1A2TSHRHSD17B10 | |
| SCHEMBL22060026 | 0.65 | JAK2 (0.47) | ALDH1A1CES2BCHECES1MCL1 | |
| SCHEMBL10918580 | 0.65 | MEN1 (0.46) | ALDH1A1MCL1MEN1KMT2ACYP1A1 | |
| SCHEMBL7471856 | 0.63 | MEN1 (0.38) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL6306041 | 0.63 | JAK2 (0.59) | ALDH1A1CES2BCHECES1MCL1 | |
| Naphthalene SCHEMBL27361432 | 0.61 | CYP2A6 (0.50) | ALDH1A1CES2CES1MEN1KMT2A | |
| SCHEMBL22545764 | 0.59 | ALDH1A1 (0.34) | ALDH1A1CES2BCHECES1MCL1 |
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-5877185-A | THERAPY FOR CANCER OR RETROVIRUS | OCTAMER, INC. (US) | 1999-03-02 | — | — | US | disclosed |
| WO-1996022791-A9 | NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS | — | 1996-10-03 | — | — | WO | disclosed |
| WO-1996022791-A1 | NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS | OCTAMER, INC. (US) | 1996-08-01 | — | — | WO | disclosed |