Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.55 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | NSD2 | O96028 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1825806 | 0.95 | ADRB1 (0.65) | ADRB1KDM4EALDH1A1L3MBTL1PLA2G1B | |
| SCHEMBL9655124 | 0.93 | ADRB1 (0.63) | ADRB1KDM4EALDH1A1L3MBTL1PLA2G1B | |
| SCHEMBL10893618 | 0.93 | ADRB1 (0.63) | ADRB1KDM4EALDH1A1L3MBTL1PLA2G1B | |
| Hydrochloric Acid SCHEMBL3944269 | 0.91 | ADRB1 (0.61) | ADRB1KDM4EALDH1A1L3MBTL1PLA2G1B | |
| SCHEMBL28396664 | 0.90 | ADRB1 (0.71) | ADRB1KDM4EALDH1A1PLA2G1BRAB9A | |
| SCHEMBL3612685 | 0.82 | ADRB1 (0.85) | ADRB1KDM4EALDH1A1TSHRHSD17B10 | |
| SCHEMBL21599186 | 0.82 | ADRB2 (0.50) | ADRB1KDM4EALDH1A1L3MBTL1PLA2G1B | |
| SCHEMBL4423797 | 0.81 | MAPK1 (0.60) | ADRB1KDM4EALDH1A1L3MBTL1PLA2G1B | |
| SCHEMBL4072648 | 0.81 | ADRB1 (0.61) | ADRB1KDM4EALDH1A1PLA2G1BRAB9A | |
| SCHEMBL20139276 | 0.80 | AKR1C3 (0.57) | KDM4EALDH1A1RAB9AMAPTHTR1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-116332929-A | 3-amido-beta-carboline compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2023-06-27 | — | — | CN | disclosed |