Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.45 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | ACLY | P53396 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29699277 | 0.87 | ACHE (0.58) | NPC1RAB9ASMN1; SMN2HPGDTSHR | |
| Benzene SCHEMBL27980187 | 0.87 | ACHE (0.58) | NPC1RAB9ASMN1; SMN2HPGDTSHR | |
| SCHEMBL200730 | 0.87 | ACHE (0.58) | NPC1RAB9ASMN1; SMN2HPGDTSHR | |
| SCHEMBL28660662 | 0.84 | TSHR (0.55) | NPC1RAB9ASMN1; SMN2HPGDTSHR | |
| SCHEMBL20689786 | 0.84 | TSHR (0.55) | NPC1RAB9ASMN1; SMN2HPGDTSHR | |
| SCHEMBL28284301 | 0.84 | TSHR (0.55) | NPC1RAB9ASMN1; SMN2HPGDTSHR | |
| Hydrogen Sulfide SCHEMBL27914332 | 0.84 | TSHR (0.55) | NPC1RAB9ASMN1; SMN2HPGDTSHR | |
| SCHEMBL19503240 | 0.84 | TSHR (0.55) | NPC1RAB9ASMN1; SMN2HPGDTSHR | |
| Bicarbonate SCHEMBL28836750 | 0.83 | POLB (0.56) | NPC1RAB9ASMN1; SMN2HPGDTSHR | |
| SCHEMBL3383961 | 0.82 | CA2 (0.51) | MCL1PGRHSD17B1HSD17B2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105732459-B | Pyrrole amides class compound and preparation method thereof and purposes | 成都先导药物开发有限公司 | 2019-05-31 | — | — | CN | disclosed |
| CN-105732597-B | A kind of midbody compound and the preparation method and application thereof preparing pyrrole amides class compound | 成都先导药物开发有限公司 | 2019-01-01 | — | — | CN | disclosed |
| CN-105732459-A | Pyrrole amide compounds, preparation method and applications thereof | 成都先导药物开发有限公司 | 2016-07-06 | — | — | CN | disclosed |
| CN-105732597-A | Intermediate compounds for preparing pyrrole amide compounds, preparation method and applications thereof | 成都先导药物开发有限公司 | 2016-07-06 | — | — | CN | disclosed |