Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 3/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL3127720 | 0.85 | IDO1 (0.42) | TDP1IDO1CYP17A1CYP21A2CYP11B1 | |
| SCHEMBL18093835 | 0.83 | TDP1 (0.43) | TDP1IDO1 | |
| SCHEMBL29472374 | 0.81 | IDO1 (0.34) | IDO1AKR1B1CHRNB4CHRNA3MAOB | |
| SCHEMBL671058 | 0.81 | IDO1 (0.34) | IDO1AKR1B1CHRNB4CHRNA3MAOB | |
| SCHEMBL6911666 | 0.80 | TAAR1 (0.50) | IDO1MAOB | |
| SCHEMBL16954621 | 0.80 | MAOB (0.33) | IDO1CYP17A1CYP21A2CYP11B1DAO | |
| SCHEMBL5227217 | 0.80 | IDO1 (0.31) | IDO1CYP17A1CYP21A2CYP11B1DAO | |
| SCHEMBL5411709 | 0.80 | POLB (0.33) | IDO1CYP17A1CYP21A2CYP11B1DAO | |
| SCHEMBL3414415 | 0.80 | TDP1 (0.34) | TDP1IDO1CYP17A1CYP21A2CYP11B1 | |
| SCHEMBL16961394 | 0.77 | MAOB (0.31) | MAOB |
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-102666545-B | As the heterocycle Pyrazolopyrimidine analogs of JAK inhibitor | CELLZOME LTD. (GB) | 2016-04-06 | — | — | CN | disclosed |
| CN-102858760-A | Glycine chroman-6-sulfonamides for use as inhibitors of diacylglycerol lipase | BRISTOL MYERS SQUIBB CO | 2013-01-02 | — | — | CN | disclosed |
| CN-102666545-A | Heterocyclyl pyrazolopyrimidine analogues as jak inhibitors | CELLZOME LTD | 2012-09-12 | — | — | CN | disclosed |
| WO-2007121389-A2 | 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AS NK-I AND SEROTONIN TRANSPORTER INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-10-25 | — | — | WO | disclosed |