Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL3080086 | 0.85 | TSHR (0.49) | ALDH1A1TSHRLOXL2CYP2C19MAPK1 | |
| SCHEMBL9308189 | 0.83 | LOXL2 (0.50) | ALDH1A1TSHRLOXL2CYP2C19MAPK1 | |
| SCHEMBL9308771 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TSHRLOXL2CYP2C19THRB | |
| SCHEMBL1627332 | 0.79 | TSHR (0.53) | ALDH1A1TSHRLOXL2CYP2C19MAPK1 | |
| SCHEMBL2370645 | 0.78 | MMP8 (0.52) | ALDH1A1MAPTKMT2AKDM4ENPC1 | |
| SCHEMBL75530 | 0.78 | LOXL2 (0.55) | ALDH1A1TSHRLOXL2CYP2C19CYP1A2 | |
| SCHEMBL6667989 | 0.78 | TSHR (0.49) | ALDH1A1TSHRLOXL2CYP2C19MAPK1 | |
| SCHEMBL15661537 | 0.77 | HTR2A (0.45) | ALDH1A1TSHRLOXL2THRBHPGD | |
| SCHEMBL19413781 | 0.76 | ALDH1A1 (0.45) | ALDH1A1TSHRMAPK1MAOBMAPT | |
| SCHEMBL9207348 | 0.75 | TSHR (0.50) | ALDH1A1TSHRLOXL2CYP2C19MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0502595-A2 | Amide chelates, their metal complexes and their use in diagnosis and therapy | INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) | 1992-09-09 | — | — | EP | disclosed |