Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | MLNR | O43193 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7194368 | 1.00 | DNM1 (0.44) | DNM1KCNH2MLNRNR1I2ESR1 | |
| SCHEMBL95929 | 0.98 | LTA4H (0.42) | DNM1KCNH2MLNRNR1I2ESR1 | |
| SCHEMBL95799 | 0.91 | LTA4H (0.42) | DNM1KCNH2MLNRNR1I2ESR1 | |
| SCHEMBL98189 | 0.81 | APP (0.41) | DRD2HTR2ADRD3SMN1; SMN2TP53 | |
| SCHEMBL9015870 | 0.79 | FFAR1 (0.58) | KCNH2HTR2AHRH3ALDH1A1CYP3A4 | |
| SCHEMBL7139040 | 0.79 | FFAR1 (0.58) | KCNH2HTR2AHRH3ALDH1A1CYP3A4 | |
| SCHEMBL2350387 | 0.79 | FFAR1 (0.58) | KCNH2HTR2AHRH3ALDH1A1CYP3A4 | |
| SCHEMBL4073903 | 0.79 | FFAR1 (0.58) | KCNH2HTR2AHRH3ALDH1A1CYP3A4 | |
| SCHEMBL4071200 | 0.79 | FFAR1 (0.58) | KCNH2HTR2AHRH3ALDH1A1CYP3A4 | |
| SCHEMBL2027461 | 0.79 | FFAR1 (0.58) | KCNH2HTR2AHRH3ALDH1A1CYP3A4 |
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-2008059014-A2 | ANTITUBERCULOSIS AGENTS WITH ALKYLIDENE OR ALKYL SIDE CHAIN | UNIVERSIDAD DE SALAMANCA (ES) | 2008-05-22 | — | — | WO | claimed |
| WO-2008059014-A2 | ANTITUBERCULOSIS AGENTS WITH ALKYLIDENE OR ALKYL SIDE CHAIN | UNIVERSIDAD DE SALAMANCA (ES) | 2008-05-22 | — | — | WO | disclosed |