Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 | Q16531 | 1/20 | 0.45 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.43 |
| ▸ | ACACB | O00763 | 3/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | NAAA | Q02083 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL19904619 | 0.85 | DRD2 (0.43) | ALDH1A1TSHRS1PR1S1PR3ACACB | |
| SCHEMBL19904450 | 0.78 | MEN1 (0.39) | S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL2091100 | 0.76 | NAAA (0.46) | DDB1CRBNALDH1A1HRH3NAAA | |
| SCHEMBL2092643 | 0.75 | NAAA (0.47) | DDB1CRBNALDH1A1HRH3NAAA | |
| SCHEMBL8276621 | 0.74 | TP53 (0.42) | DDB1CRBNALDH1A1TSHRHRH3 | |
| SCHEMBL21122690 | 0.74 | HRH3 (0.50) | HRH3DRD3 | |
| SCHEMBL19904472 | 0.74 | HRH1 (0.42) | DDB1CRBNALDH1A1TSHR | |
| SCHEMBL19904683 | 0.73 | SIGMAR1 (0.38) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL12188700 | 0.73 | DDB1 (0.50) | DDB1CRBNALDH1A1TSHRACACB | |
| SCHEMBL4964015 | 0.72 | ALDH1A1 (0.50) | ALDH1A1TSHRACACBHRH3ALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3912977-A1 | GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES | BioMarin Pharmaceutical Inc. (US) | 2021-11-24 | — | — | EP | disclosed |
| EP-3063141-B1 | N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS | BIOMARIN PHARM INC (US) | 2018-02-28 | — | — | EP | disclosed |