Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | OGA | O60502 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL24126297 | 0.80 | SIGMAR1 (0.46) | SIGMAR1KDM4ECYP1A2GAACYP2C9 | |
| SCHEMBL20182980 | 0.78 | SIGMAR1 (0.46) | SIGMAR1KDM4ECYP1A2GAACYP2C9 | |
| SCHEMBL18248348 | 0.77 | SIGMAR1 (0.44) | SIGMAR1KDM4ECYP1A2GAACYP2C9 | |
| SCHEMBL18248327 | 0.77 | SIGMAR1 (0.44) | SIGMAR1KDM4ECYP1A2GAACYP2C9 | |
| SCHEMBL30775408 | 0.75 | KDM4E (0.61) | SIGMAR1KDM4E | |
| SCHEMBL2274356 | 0.75 | ALDH1A1 (0.59) | SIGMAR1KDM4ECYP1A2CYP2C9HTR1A | |
| SCHEMBL28612099 | 0.75 | HTR1A (0.46) | SIGMAR1KDM4ECYP1A2GAACYP2C9 | |
| Hydrochloric Acid SCHEMBL25310447 | 0.73 | ALDH1A1 (0.62) | SIGMAR1KDM4ECYP1A2CYP2C9HTR1A | |
| SCHEMBL18248260 | 0.73 | SIGMAR1 (0.42) | SIGMAR1KDM4ECYP1A2GAACYP2C9 | |
| SCHEMBL5368547 | 0.73 | L3MBTL1 (0.49) | SIGMAR1KDM4ECYP1A2GAACYP2C9 |
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-2018053126-A1 | INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF | VANDERBILT UNIVERSITY (US) | 2018-03-22 | — | — | WO | disclosed |