Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.40 |
| ▸ | ADH1C | P00326 | 1/20 | 0.40 |
| ▸ | ADH1A | P07327 | 1/20 | 0.40 |
| ▸ | ADH4 | P08319 | 1/20 | 0.40 |
| ▸ | ADH7 | P40394 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.35 |
| ▸ | GAPDH | P04406 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.34 |
| ▸ | FDPS | P14324 | 3/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28188689 | 1.00 | ADH1B (0.40) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL3029587 | 1.00 | ADH1B (0.40) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL17913847 | 0.86 | TSHR (0.39) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL17913849 | 0.86 | TSHR (0.39) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL20377487 | 0.84 | TSHR (0.36) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL17336784 | 0.84 | — | — | |
| SCHEMBL27680176 | 0.80 | ADH1B (0.37) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL27853253 | 0.80 | ADH1B (0.37) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL1715275 | 0.79 | TSHR (0.41) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL21638858 | 0.79 | TSHR (0.41) | ADH1BADH1CADH1AADH4ADH7 |
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-2428510-A2 | Preparation of taxanes from 9-dihydro-13-acetylbaccatin III | Accord Healthcare Inc. (CA) | 2012-03-14 | — | — | EP | disclosed |