Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.49 |
| ▸ | KIF11 | P52732 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Tert-Butylbenzene SCHEMBL66109 | 0.87 | HSD11B1 (0.50) | HSD17B2HSD11B1ALDH1A1NPC1RECQL | |
| SCHEMBL128222 | 0.87 | KIF11 (0.59) | HSD17B2KIF11ALDH1A1CYP2C9NPC1 | |
| SCHEMBL3421942 | 0.87 | KIF11 (0.59) | HSD17B2KIF11ALDH1A1CYP2C9NPC1 | |
| Ethane SCHEMBL27903947 | 0.84 | KIF11 (0.57) | HSD17B2KIF11ALDH1A1CYP2C9NPC1 | |
| Bicarbonate SCHEMBL27490121 | 0.83 | CYP2C9 (0.57) | HSD17B2KIF11CYP2C9RAB9ARXRA | |
| Bicarbonate SCHEMBL27587346 | 0.83 | CYP2C9 (0.57) | HSD17B2KIF11CYP2C9RAB9ARXRA | |
| Tannin Pyrogallol SCHEMBL27591599 | 0.82 | CA1 (0.56) | ALDH1A1CA12CA1CA2CA9 | |
| Acetaldehyde SCHEMBL27849991 | 0.81 | KIF11 (0.50) | HSD17B2KIF11ALDH1A1CYP2C9RXRA | |
| SCHEMBL18801808 | 0.80 | KIF11 (0.53) | HSD17B2KIF11ALDH1A1CYP2C9RXRA | |
| SCHEMBL28102065 | 0.80 | DHODH (0.54) | HSD17B2KIF11ALDH1A1CYP2C9RXRA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |