Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.59 |
| ▸ | THPO | P40225 | 2/20 | 0.59 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.59 |
| ▸ | GMNN | O75496 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.59 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.59 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17806416 | 0.82 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL4266391 | 0.80 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL26242336 | 0.79 | EGFR (0.57) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL3778866 | 0.79 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| Hydrochloric Acid SCHEMBL28679486 | 0.79 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL2117218 | 0.78 | HDAC6 (0.62) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL2114634 | 0.78 | LMNA (0.51) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL19732383 | 0.78 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL6094906 | 0.77 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT | |
| SCHEMBL16807862 | 0.77 | ALDH1A1 (0.75) | ALDH1A1SMN1; SMN2HIF1ALMNAMAPT |
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-5491138-A | Estradiol derivative alkylating agent conjugate with reduced hormonal activity, process for preparing the same, compounds useful for the preparation thereof, and growth inhibiting composition containing the conjugate or estradiol derivative | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1996-02-13 | — | — | US | disclosed |
| US-5478818-A | Estradiol derivative-alkylating agent conjugate with reduced hormonal activity, process for preparing the same, compounds useful for the preparation thereof, and growth inhibiting composition containing the conjugate or estradiol derivative | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1995-12-26 | — | — | US | disclosed |
| EP-0646592-A1 | Estradiol derivative-alkylating agent conjugate | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1995-04-05 | — | — | EP | disclosed |