Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL37324 | 1.00 | DRD4 (0.44) | DRD4ACHEGRIN2BDRD2KMT2A | |
| SCHEMBL15908943 | 1.00 | DRD4 (0.44) | DRD4ACHEGRIN2BDRD2KMT2A | |
| SCHEMBL15908932 | 0.90 | KMT2A (0.48) | DRD4GRIN2BDRD2KMT2AMEN1 | |
| SCHEMBL37562 | 0.90 | KMT2A (0.48) | DRD4GRIN2BDRD2KMT2AMEN1 | |
| SCHEMBL15909047 | 0.90 | KMT2A (0.48) | DRD4GRIN2BDRD2KMT2AMEN1 | |
| SCHEMBL38609 | 0.88 | GRIN2B (0.42) | DRD4GRIN2BDRD2KMT2AMEN1 | |
| SCHEMBL37731 | 0.88 | GRIN2B (0.42) | DRD4GRIN2BDRD2KMT2AMEN1 | |
| SCHEMBL15908954 | 0.88 | GRIN2B (0.42) | DRD4GRIN2BDRD2KMT2AMEN1 | |
| SCHEMBL15908968 | 0.76 | CHRNB2 (0.43) | TSHRMAPK1CYP2C19 | |
| SCHEMBL37741 | 0.76 | CHRNB2 (0.43) | TSHRMAPK1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011149993-A2 | SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS | ABBOTT LABORATORIES (US) | 2011-12-01 | — | — | WO | claimed |
| WO-2011149993-A2 | SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS | ABBOTT LABORATORIES (US) | 2011-12-01 | — | — | WO | disclosed |