Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PROKR2 | Q8NFJ6 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SSTR3 | P32745 | 2/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19904455 | 1.00 | KMT2A (0.36) | KMT2APROKR2NOTUMHTR1AMAPT | |
| SCHEMBL19904488 | 0.93 | KMT2A (0.38) | KMT2APROKR2NOTUMHTR1AMAPT | |
| SCHEMBL19904324 | 0.93 | KDM4E (0.37) | NOTUMHTR1AKDM4ESSTR3SSTR1 | |
| SCHEMBL19904593 | 0.93 | MCHR1 (0.36) | HTR1ACHRM2MCHR1 | |
| SCHEMBL19904535 | 0.93 | KDM4E (0.37) | NOTUMHTR1AKDM4ESSTR3SSTR1 | |
| SCHEMBL19904427 | 0.92 | KMT2A (0.38) | KMT2APROKR2NOTUMHTR1AMAPT | |
| SCHEMBL19904498 | 0.91 | KDM4E (0.37) | NOTUMHTR1AKDM4EALDH1A1MAPK1 | |
| SCHEMBL19904561 | 0.91 | MCHR1 (0.36) | HTR1ACHRM2MCHR1 | |
| SCHEMBL19904368 | 0.91 | HTR1A (0.38) | KMT2APROKR2NOTUMHTR1AMAPT | |
| SCHEMBL19904551 | 0.91 | HTR1A (0.38) | KMT2APROKR2NOTUMHTR1AMAPT |
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 |