Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.42 |
| ▸ | PPARG | P37231 | 7/20 | 0.42 |
| ▸ | PPARD | Q03181 | 7/20 | 0.42 |
| ▸ | PPARA | Q07869 | 7/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.42 |
| ▸ | TLR2 | O60603 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | FABP4 | P15090 | 2/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8909554 | 0.84 | ALDH1A1 (0.52) | ALDH1A1ATMTSHRTDP1ESR1 | |
| SCHEMBL65775 | 0.84 | ALDH1A1 (0.52) | ALDH1A1ATMTSHRTDP1ESR1 | |
| SCHEMBL1759123 | 0.84 | ALDH1A1 (0.44) | ALDH1A1AKR1B1ATMGPR84PPARG | |
| SCHEMBL25226108 | 0.82 | ALDH1A1 (0.50) | ALDH1A1ATMTSHRTDP1ESR1 | |
| Ammonia Solution, Strong SCHEMBL28649190 | 0.82 | ALDH1A1 (0.50) | ALDH1A1ATMTSHRTDP1ESR1 | |
| SCHEMBL7402016 | 0.82 | ALDH1A1 (0.42) | ALDH1A1AKR1B1ATMGPR84PPARG | |
| SCHEMBL547235 | 0.81 | ALDH1A1 (0.48) | ALDH1A1AKR1B1ATMPPARGPPARA | |
| SCHEMBL25229268 | 0.81 | NAAA (0.48) | ALDH1A1ATMTSHRHCAR2HPGD | |
| SCHEMBL721996 | 0.81 | NAAA (0.48) | ALDH1A1ATMTSHRHCAR2HPGD | |
| SCHEMBL25227061 | 0.81 | NAAA (0.48) | ALDH1A1ATMTSHRHCAR2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000143610-A | N-TERTIARY-BUTOXYCARBONYL-3,3'-IMINODIPROPIONATE, ITS PRODUCTION, AND PRODUCTION OF 1-TERTIARY- BUTOXYCARBONYL-4-OXO-3-PIPERIDINECARBOXYLATE | KOEI CHEM CO LTD | 2000-05-26 | — | — | JP | disclosed |