Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 4/20 | 0.42 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.37 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.37 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.37 |
| ▸ | ABAT | P80404 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9472049 | 0.85 | ALDH1A1 (0.44) | ALDH1A1ALDH1A3ALDH3A1TSHRKDM4E | |
| SCHEMBL13319265 | 0.83 | KDM4E (0.42) | ALDH1A1ALDH1A3TSHRKDM4EPTGS2 | |
| SCHEMBL5225614 | 0.83 | TYR (0.38) | ALDH1A1ALDH1A3TSHRKDM4EPTGS2 | |
| SCHEMBL27756844 | 0.83 | ALDH1A1 (0.43) | ALDH1A1TSHRRAB9ATDP1CYP2A6 | |
| SCHEMBL606640 | 0.82 | ALDH1A1 (0.45) | ALDH1A1ALDH1A3ALDH3A1TSHRKDM4E | |
| SCHEMBL7124340 | 0.78 | ALDH1A1 (0.46) | ALDH1A1ALDH1A3ALDH3A1TSHRKDM4E | |
| SCHEMBL28716561 | 0.78 | ALDH1A1 (0.39) | ALDH1A1ALDH1A3ALDH3A1TSHRKDM4E | |
| SCHEMBL2724314 | 0.77 | ALDH1A1 (0.41) | ALDH1A1ALDH1A3ALDH3A1TSHRKDM4E | |
| SCHEMBL3431177 | 0.77 | KDM4E (0.59) | ALDH1A1ALDH1A3ALDH3A1TSHRKDM4E | |
| SCHEMBL2909366 | 0.77 | ALDH1A3 (0.58) | ALDH1A1ALDH1A3ALDH3A1TSHRKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2354118-A1 | Process for the preparation of combretastatine | Aventis Pharma S.A. (FR) | 2011-08-10 | — | — | EP | disclosed |