Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL38609 | 1.00 | GRIN2B (0.42) | GRIN2BCYP2D6S1PR1S1PR5KMT2A | |
| SCHEMBL15908954 | 1.00 | GRIN2B (0.42) | GRIN2BCYP2D6S1PR1S1PR5KMT2A | |
| SCHEMBL15908943 | 0.88 | DRD4 (0.44) | GRIN2BCYP2D6KMT2AMEN1DRD2 | |
| SCHEMBL37325 | 0.88 | DRD4 (0.44) | GRIN2BCYP2D6KMT2AMEN1DRD2 | |
| SCHEMBL37324 | 0.88 | DRD4 (0.44) | GRIN2BCYP2D6KMT2AMEN1DRD2 | |
| SCHEMBL15908932 | 0.81 | KMT2A (0.48) | GRIN2BCYP2D6KMT2AMEN1ALDH1A1 | |
| SCHEMBL15909047 | 0.81 | KMT2A (0.48) | GRIN2BCYP2D6KMT2AMEN1ALDH1A1 | |
| SCHEMBL37562 | 0.81 | KMT2A (0.48) | GRIN2BCYP2D6KMT2AMEN1ALDH1A1 | |
| SCHEMBL21737963 | 0.76 | KMT2A (0.50) | CYP2D6S1PR1S1PR5KMT2AKDM4E | |
| SCHEMBL21797227 | 0.76 | KMT2A (0.50) | CYP2D6S1PR1S1PR5KMT2AKDM4E |
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 |