Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | TDO2 | P48775 | 3/20 | 0.41 |
| ▸ | IDO2 | Q6ZQW0 | 2/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17514660 | 0.86 | IDO1 (0.33) | IDO1TDO2IDO2TSHRLMNA | |
| SCHEMBL11078648 | 0.80 | IDO1 (0.39) | IDO1TDO2KDM4EMAPTTDP1 | |
| SCHEMBL11081523 | 0.80 | IDO1 (0.39) | IDO1TDO2PPARGPPARA | |
| SCHEMBL28307068 | 0.76 | SLC6A4 (0.38) | TSHRSLC6A4ADRA2ADPP4 | |
| SCHEMBL17319372 | 0.73 | KDM4E (0.43) | IDO1TDO2IDO2ACP3LMNA | |
| SCHEMBL9654033 | 0.73 | IDO1 (0.43) | IDO1TDO2IDO2ACP3TSHR | |
| SCHEMBL8507010 | 0.73 | NPC1 (0.38) | SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL11086531 | 0.73 | SLC6A4 (0.43) | IDO1TDO2ACP3CYP2C19SLC6A2 | |
| SCHEMBL9131374 | 0.71 | ALDH1A1 (0.37) | IDO1TDO2IDO2LMNACYP2C19 | |
| SCHEMBL17514546 | 0.71 | MDM2 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4467102-A | RACEMIC MODIFICATION WITH BRUCINE | UBE INDUSTRIES, LTD. (JP) | 1984-08-21 | — | — | US | disclosed |