Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL369840 | 0.77 | TSHR (0.54) | TSHRALDH1A1ACHERAB9AKDM4E | |
| SCHEMBL5832270 | 0.75 | GABRA1 (0.40) | MEN1KMT2AMAPTNPSR1L3MBTL1 | |
| SCHEMBL9542708 | 0.74 | NFE2L2 (0.47) | ALDH1A1RAB9AKDM4ECYP1A2MEN1 | |
| SCHEMBL1610013 | 0.71 | TSHR (0.48) | TSHRALDH1A1ACHERAB9AKDM4E | |
| SCHEMBL2658275 | 0.70 | ALDH1A1 (0.42) | TSHRALDH1A1CYP2C19L3MBTL1LMNA | |
| SCHEMBL8368839 | 0.70 | TSHR (0.46) | TSHRALDH1A1ACHERAB9AKDM4E | |
| SCHEMBL1611320 | 0.68 | TSHR (0.45) | TSHRALDH1A1ACHERAB9AKDM4E | |
| SCHEMBL2037821 | 0.68 | ALDH1A1 (0.62) | TSHRALDH1A1ACHERAB9AKDM4E | |
| SCHEMBL1589395 | 0.68 | ALDH1A1 (0.62) | TSHRALDH1A1ACHERAB9AKDM4E | |
| SCHEMBL1035353 | 0.68 | ALDH1A1 (0.62) | TSHRALDH1A1ACHERAB9AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993013089-A1 | MACROCYCLIC POLYETHER CARBOXYLIC ACIDS | URBAN FRANK J (US) | 1993-07-08 | — | — | WO | disclosed |