Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MT-CO2 | P00403 | 1/20 | 0.69 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10811051 | 0.88 | MT-CO2 (0.58) | MT-CO2MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL6583074 | 0.83 | POLB (0.56) | MT-CO2MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL9275585 | 0.81 | MT-CO2 (0.70) | MT-CO2MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL9596455 | 0.80 | MT-CO2 (0.54) | MT-CO2MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL15102230 | 0.80 | IDH2 (0.50) | MT-CO2MEN1KMT2APOLBMAPK1 | |
| SCHEMBL16784518 | 0.79 | MEN1 (0.73) | MT-CO2MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL16391829 | 0.79 | ABCG2 (0.51) | MT-CO2MEN1KMT2APOLBRAB9A | |
| SCHEMBL3988142 | 0.77 | KMT2A (0.65) | MT-CO2MEN1KMT2APOLBMAPK1 | |
| SCHEMBL15992015 | 0.76 | MT-CO2 (0.50) | MT-CO2MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL15992074 | 0.76 | KIF11 (0.52) | MT-CO2SMN1; SMN2GAAMAPTALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110713454-A | Nitro-substituted indole compound and preparation method thereof | 南京工业大学 | 2020-01-21 | — | — | CN | claimed |
| EP-0214009-A2 | Enaminones as potential prodrugs of primary and secondary amines | MERCK & CO. INC. (US) | 1987-03-11 | — | — | EP | claimed |
| CN-110713454-A | Nitro-substituted indole compound and preparation method thereof | 南京工业大学 | 2020-01-21 | — | — | CN | disclosed |
| EP-2509954-A1 | 4 -OXO- 1H -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011072241-A1 | 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | WO | disclosed |
| EP-0214009-A2 | Enaminones as potential prodrugs of primary and secondary amines | MERCK & CO. INC. (US) | 1987-03-11 | — | — | EP | disclosed |