Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.94 |
| ▸ | MAPT | P10636 | 5/20 | 0.94 |
| ▸ | TSHR | P16473 | 4/20 | 0.94 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.94 |
| ▸ | MEN1 | O00255 | 4/20 | 0.94 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.94 |
| ▸ | ELANE | P08246 | 4/20 | 0.94 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.94 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.94 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.94 |
| ▸ | RECQL | P46063 | 2/20 | 0.94 |
| ▸ | USP2 | O75604 | 1/20 | 0.94 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.94 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.65 |
| ▸ | MAOA | P21397 | 4/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.65 |
| ▸ | MAOB | P27338 | 3/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.65 |
| ▸ | HPGD | P15428 | 3/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.65 |
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 | |
|---|---|---|---|---|
| Chrysophanol SCHEMBL30457995 | 0.97 | ALDH1A1 (1.00) | ALDH1A1MAPTTSHRTDP1MEN1 | |
| Chrysophanol SCHEMBL308131 | 0.97 | ALDH1A1 (1.00) | ALDH1A1MAPTTSHRTDP1MEN1 | |
| Chrysophanol SCHEMBL29730935 | 0.97 | ALDH1A1 (1.00) | ALDH1A1MAPTTSHRTDP1MEN1 | |
| Chrysophanol SCHEMBL29364442 | 0.97 | ALDH1A1 (1.00) | ALDH1A1MAPTTSHRTDP1MEN1 | |
| Chrysophanol SCHEMBL8674524 | 0.97 | ALDH1A1 (1.00) | ALDH1A1MAPTTSHRTDP1MEN1 | |
| Chrysophanol SCHEMBL3272393 | 0.92 | ALDH1A1 (0.91) | ALDH1A1MAPTTSHRTDP1MEN1 | |
| SCHEMBL19461856 | 0.92 | ALDH1A1 (0.90) | ALDH1A1MAPTTSHRTDP1MEN1 | |
| Pachybasin SCHEMBL7624909 | 0.90 | MAPT (0.75) | ALDH1A1MAPTTSHRTDP1MEN1 | |
| Pachybasin SCHEMBL31536859 | 0.90 | MAPT (0.75) | ALDH1A1MAPTTSHRTDP1MEN1 | |
| Chrysophanol SCHEMBL2687351 | 0.89 | ALDH1A1 (0.78) | ALDH1A1MAPTTSHRTDP1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5053431-A | Antitumor-anticarcinogenic agents | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1991-10-01 | — | — | US | disclosed |
| WO-1990008759-A1 | DERIVATIVES OF CHRYSOPHANOL | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1990-08-09 | — | — | WO | disclosed |