Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.57 |
| ▸ | CTSD | P07339 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CDC25B | P30305 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11301800 | 0.98 | MAPK1 (0.59) | ALDH1A1MAPK1VCAM1CTSDGAA | |
| SCHEMBL411359 | 0.98 | ALDH1A1 (0.59) | ALDH1A1MAPK1VCAM1CTSDGAA | |
| SCHEMBL27637513 | 0.98 | ALDH1A1 (0.59) | ALDH1A1MAPK1VCAM1CTSDGAA | |
| Hydrogen Sulfide SCHEMBL28794532 | 0.96 | ALDH1A1 (0.58) | ALDH1A1MAPK1VCAM1CTSDGAA | |
| Methane SCHEMBL28075995 | 0.96 | ALDH1A1 (0.58) | ALDH1A1MAPK1VCAM1CTSDGAA | |
| Water SCHEMBL4951772 | 0.96 | ALDH1A1 (0.58) | ALDH1A1MAPK1VCAM1CTSDGAA | |
| SCHEMBL28783981 | 0.96 | ALDH1A1 (0.58) | ALDH1A1MAPK1VCAM1CTSDGAA | |
| Phosphine SCHEMBL28076950 | 0.96 | ALDH1A1 (0.58) | ALDH1A1MAPK1VCAM1CTSDGAA | |
| Bicarbonate SCHEMBL27635106 | 0.96 | ALDH1A1 (0.58) | ALDH1A1MAPK1VCAM1CTSDGAA | |
| Water SCHEMBL28136320 | 0.96 | ALDH1A1 (0.58) | ALDH1A1MAPK1VCAM1CTSDGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-102753564-B | 6-substituted estradiol derivatives and methods of use thereof | 安德斯有限责任公司 | 2017-04-05 | — | — | CN | disclosed |
| CN-102076343-B | 6-substituted estradiol derivatives and methods of use | ENDECE INC | 2015-04-01 | — | — | CN | disclosed |
| CN-102076343-A | 6-substituted estradiol derivatives and methods of use | ENDECE LLC | 2011-05-25 | — | — | CN | disclosed |