Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21348120 | 0.90 | TSHR (0.50) | ALDH1A1TSHRCYP2D6CA12CA1 | |
| SCHEMBL21348399 | 0.84 | ALDH1A1 (0.44) | ALDH1A1TSHRCYP2D6CA12CA1 | |
| SCHEMBL12448087 | 0.81 | CA12 (0.43) | ALDH1A1TSHRCYP2D6CA12CA1 | |
| SCHEMBL13661140 | 0.81 | CARM1 (0.47) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL3634277 | 0.79 | ALDH1A1 (0.40) | ALDH1A1TSHRCYP2D6CA12CA1 | |
| SCHEMBL39800 | 0.79 | CA12 (0.47) | ALDH1A1TSHRCYP2D6CA12CA1 | |
| SCHEMBL12260412 | 0.78 | CYP2D6 (0.45) | ALDH1A1TSHRCYP2D6CA12CA1 | |
| SCHEMBL8041394 | 0.78 | TSHR (0.51) | ALDH1A1TSHRCYP2D6CA12CA1 | |
| SCHEMBL4401738 | 0.78 | CA12 (0.53) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL15025381 | 0.78 | CA12 (0.43) | ALDH1A1TSHRCYP2D6CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009071707-A1 | NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS NV (BE) | 2009-06-11 | — | — | WO | disclosed |