Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | CA5A | P35218 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.53 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2780581 | 0.86 | SMN1; SMN2 (0.47) | ATMPOLBSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL7435099 | 0.86 | ATM (0.76) | ATMPOLBSMN1; SMN2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL11808765 | 0.84 | ATM (0.73) | ATMPOLBSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL8518764 | 0.84 | POLB (0.63) | ATMPOLBSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL21709261 | 0.83 | ATM (0.61) | ATMPOLBSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL1966411 | 0.81 | ATM (0.69) | ATMPOLBSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL21709052 | 0.81 | ACHE (0.43) | ATMPOLBSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL11811971 | 0.80 | SLC2A1 (0.68) | ATMPOLBSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL1972067 | 0.80 | SIGMAR1 (0.70) | ATMPOLBSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL30798962 | 0.80 | SLC2A1 (0.76) | ATMPOLBSMN1; SMN2KDM4EALDH1A1 |
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-2020032080-A1 | COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND | 学校法人慶應義塾 | 2020-02-13 | — | — | WO | disclosed |