Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.35 |
| ▸ | CTSC | P53634 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | ARHGDIA | P52565 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL8046810 | 0.93 | SMYD3 (0.35) | GRIN2BMAPK1SMYD3CTSCCHRM5 | |
| SCHEMBL6706106 | 0.75 | ALDH1A1 (0.42) | SMYD3 | |
| SCHEMBL8048468 | 0.75 | HPGD (0.41) | SMYD3PREP | |
| SCHEMBL8046739 | 0.72 | TACR1 (0.35) | SMYD3PREP | |
| SCHEMBL8043737 | 0.67 | SMYD3 (0.42) | SMYD3 | |
| SCHEMBL8043736 | 0.67 | SMYD3 (0.42) | SMYD3 | |
| SCHEMBL8044025 | 0.62 | SMYD3 (0.38) | SMYD3POLB | |
| SCHEMBL8044030 | 0.62 | SMYD3 (0.38) | SMYD3POLB | |
| SCHEMBL25205712 | 0.61 | MAPK1 (0.55) | MAPK1ROCK2ROCK1 | |
| SCHEMBL30564484 | 0.61 | MAPK1 (0.55) | MAPK1ROCK2ROCK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6121280-A | Azabicyclic rotomase inhibitors | PFIZER INC. (US) | 2000-09-19 | — | — | US | disclosed |
| EP-0947506-A1 | 2-Aza-bicyclo[2.2.1]heptane derivatives and their use as rotamase inhibitors | Pfizer Products Inc. (US) | 1999-10-06 | — | — | EP | disclosed |