Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.33 |
| ▸ | KIF11 | P52732 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11277664 | 0.69 | NOX1 (0.43) | ALDH1A1KDM4EPTGS2RAB9ACYP2A6 | |
| SCHEMBL5515460 | 0.68 | ALDH1A1 (0.42) | ALDH1A1KDM4EPTGS2RAB9ACYP2A6 | |
| SCHEMBL27648588 | 0.66 | CYP2A6 (0.38) | ALDH1A1KDM4EPTGS2RAB9ACYP2A6 | |
| SCHEMBL31083349 | 0.63 | ALDH1A1 (0.50) | ALDH1A1KDM4EPTGS2RAB9ACYP2A6 | |
| SCHEMBL31083569 | 0.63 | ALDH1A1 (0.50) | ALDH1A1KDM4EPTGS2RAB9ACYP2A6 | |
| SCHEMBL11272621 | 0.63 | NOX1 (0.59) | ALDH1A1PTGS2RAB9ATSHRHSD17B10 | |
| SCHEMBL3054155 | 0.63 | ALDH1A1 (0.49) | ALDH1A1KDM4EPTGS2RAB9ACYP2A6 | |
| SCHEMBL27476532 | 0.63 | ALDH1A1 (0.33) | ALDH1A1KDM4EPTGS2RAB9ACYP2A6 | |
| SCHEMBL6440717 | 0.63 | ALDH1A1 (0.37) | ALDH1A1KDM4EPTGS2RAB9ACYP2A6 | |
| SCHEMBL622422 | 0.62 | HTT (0.56) | ALDH1A1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009020457-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-02-12 | — | — | WO | disclosed |
| EP-2010532-A1 | TRYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS | Glaxo Group Limited (GB) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007122258-A1 | TRYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS | GLAXO GROUP LIMITED (GB) | 2007-11-01 | — | — | WO | disclosed |