Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.30 |
| ▸ | HRH2 | P25021 | 1/20 | 0.30 |
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-Butyl Formate SCHEMBL28165086 | 1.00 | TDP1 (0.43) | TDP1KCNH2HRH4HRH3HRH2 | |
| Tert-Butyl Formate SCHEMBL28071694 | 0.90 | TDP1 (0.41) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28071662 | 0.90 | TDP1 (0.41) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27774449 | 0.90 | TDP1 (0.41) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27410595 | 0.90 | TDP1 (0.46) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27990522 | 0.86 | TDP1 (0.50) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28330620 | 0.85 | TDP1 (0.42) | TDP1KCNH2 | |
| Tert-Butyl Formate SCHEMBL27987725 | 0.79 | TDP1 (0.46) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27852871 | 0.78 | TDP1 (0.45) | TDP1 | |
| SCHEMBL170691 | 0.78 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110511209-A | It can be used as the indole carboxamides compound of kinase inhibitor | BRISTOL MYERS SQUIBB CO | 2019-11-29 | — | — | CN | disclosed |
| CN-109897011-A | A kind of IDO inhibitor and its application | 上海华汇拓医药科技有限公司 | 2019-06-18 | — | — | CN | disclosed |
| CN-107108583-A | Indole carboxamide compounds useful as kinase inhibitors | 百时美施贵宝公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-105143205-A | New 3,4-dihydro-2h-isoquinoline-1-one and 2,3-dihydro-isoindol-1-one compounds | HOFFMANN LA ROCHE | 2015-12-09 | — | — | CN | disclosed |
| CN-105143204-A | New 3,4-dihydro-2h-isoquinoline-1-one and 2,3-dihydro-isoindol-1-one compounds | HOFFMANN LA ROCHE | 2015-12-09 | — | — | CN | disclosed |