Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 7/20 | 0.43 |
| ▸ | ACACA | Q13085 | 2/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.36 |
| ▸ | WDR91 | A4D1P6 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 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 | |
|---|---|---|---|---|
| SCHEMBL19904492 | 0.92 | ACACB (0.43) | ACACBACACANOTUMTSHR | |
| SCHEMBL19904546 | 0.92 | ACACB (0.43) | ACACBACACANOTUMTSHR | |
| SCHEMBL19904460 | 0.90 | ACACB (0.41) | ACACBCCR1HTR1ANOTUMGPBAR1 | |
| SCHEMBL19904658 | 0.90 | ACACB (0.41) | ACACBCCR1HTR1ANOTUMGPBAR1 | |
| SCHEMBL19904665 | 0.88 | HTR1A (0.41) | CCR1HTR1ANOTUMGPBAR1 | |
| SCHEMBL19904383 | 0.87 | ACACB (0.38) | ACACBCCR1HTR1ANOTUMGPBAR1 | |
| SCHEMBL19904415 | 0.85 | CCR1 (0.43) | CCR1HTR1ANOTUMCCR5P2RX3 | |
| SCHEMBL19904651 | 0.85 | CCR1 (0.43) | CCR1HTR1ANOTUMCCR5P2RX3 | |
| SCHEMBL19904696 | 0.85 | NOTUM (0.50) | CCR1HTR1ANOTUMTSHRGPBAR1 | |
| SCHEMBL16695530 | 0.83 | ACACB (0.46) | ACACBACACACCR1NOTUMTACR3 |
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 |