Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SSTR3 | P32745 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 7/20 | 0.38 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.38 |
| ▸ | CCR3 | P51677 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19904458 | 1.00 | KDM4E (0.43) | KDM4ESSTR3LMNAPKMUSP2 | |
| SCHEMBL19904518 | 0.98 | KDM4E (0.43) | KDM4ESSTR3LMNAPKMUSP2 | |
| SCHEMBL19904409 | 0.98 | KDM4E (0.43) | KDM4ESSTR3LMNAPKMUSP2 | |
| SCHEMBL19904431 | 0.93 | SSTR3 (0.45) | KDM4ESSTR3LMNAPKMUSP2 | |
| SCHEMBL19904527 | 0.92 | MCHR1 (0.41) | LMNAUSP2ALDH1A1HPGDTSHR | |
| SCHEMBL19904325 | 0.92 | MCHR1 (0.41) | LMNAUSP2ALDH1A1HPGDTSHR | |
| SCHEMBL19904671 | 0.92 | SSTR3 (0.45) | KDM4ESSTR3LMNAPKMUSP2 | |
| SCHEMBL19904498 | 0.90 | KDM4E (0.37) | KDM4ESSTR3LMNAPKMUSP2 | |
| SCHEMBL19904324 | 0.89 | KDM4E (0.37) | KDM4ESSTR3LMNAPKMACACB | |
| SCHEMBL19904535 | 0.89 | KDM4E (0.37) | KDM4ESSTR3LMNAPKMACACB |
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 |
|---|---|---|---|---|---|---|---|
| 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 |