Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GPR6 | P46095 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL17375222 | 0.91 | SMN1; SMN2 (0.49) | KDM4ERAB9ASMN1; SMN2NPC1HSD17B10 | |
| SCHEMBL17375157 | 0.89 | NPC1 (0.38) | KDM4ERAB9ASMN1; SMN2NPC1HSD17B10 | |
| SCHEMBL17375154 | 0.87 | STIM1 (0.38) | KDM4ERAB9ASMN1; SMN2NPC1HSD17B10 | |
| SCHEMBL17380988 | 0.86 | HTT (0.38) | KDM4ERAB9ASMN1; SMN2NPC1RXFP1 | |
| SCHEMBL17375156 | 0.86 | RAB9A (0.40) | RAB9ASMN1; SMN2NPC1HSD17B10RXFP1 | |
| SCHEMBL17375151 | 0.85 | STIM1 (0.45) | KDM4ERAB9ASMN1; SMN2NPC1HSD17B10 | |
| SCHEMBL17381156 | 0.85 | LMNA (0.40) | LMNAKDM4ERAB9ASMN1; SMN2NPC1 | |
| SCHEMBL17381159 | 0.85 | HSD17B10 (0.47) | LMNAKDM4ERAB9ASMN1; SMN2NPC1 | |
| SCHEMBL17381256 | 0.85 | TRPV1 (0.42) | LMNAKDM4ERAB9ASMN1; SMN2NPC1 | |
| SCHEMBL17380992 | 0.85 | NPC1 (0.36) | KDM4ERAB9ASMN1; SMN2NPC1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015197188-A1 | PYRAZOLYL-BASED CARBOXAMIDES AS CRAC INHIBITORS | Grünenthal GmbH (DE) | 2015-12-30 | — | — | WO | claimed |
| WO-2015197188-A1 | PYRAZOLYL-BASED CARBOXAMIDES AS CRAC INHIBITORS | Grünenthal GmbH (DE) | 2015-12-30 | — | — | WO | disclosed |