Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.73 |
| ▸ | MEN1 | O00255 | 2/20 | 0.73 |
| ▸ | LMNA | P02545 | 2/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.73 |
| ▸ | POLB | P06746 | 3/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | MGLL | Q99685 | 3/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10495198 | 0.89 | ALDH1A1 (0.89) | ALDH1A1KMT2AMEN1LMNASMN1; SMN2 | |
| SCHEMBL24120195 | 0.87 | HPGD (0.61) | ALDH1A1KMT2AMEN1LMNASMN1; SMN2 | |
| SCHEMBL17465268 | 0.87 | ALDH1A1 (0.69) | ALDH1A1KMT2AMEN1LMNASMN1; SMN2 | |
| SCHEMBL1104737 | 0.86 | ALDH1A1 (0.90) | ALDH1A1KMT2AMEN1LMNASMN1; SMN2 | |
| SCHEMBL10169258 | 0.86 | ALDH1A1 (0.96) | ALDH1A1KMT2AMEN1LMNASMN1; SMN2 | |
| SCHEMBL10169253 | 0.84 | ALDH1A1 (0.87) | ALDH1A1KMT2AMEN1LMNASMN1; SMN2 | |
| SCHEMBL104400 | 0.83 | KMT2A (0.78) | ALDH1A1KMT2AMEN1LMNASMN1; SMN2 | |
| SCHEMBL12089434 | 0.83 | ALDH1A1 (0.78) | ALDH1A1KMT2AMEN1LMNASMN1; SMN2 | |
| SCHEMBL1799068 | 0.82 | ALDH1A1 (0.64) | ALDH1A1KMT2ALMNAPOLBMAPT | |
| SCHEMBL8314360 | 0.82 | CA12 (0.58) | ALDH1A1KMT2AMEN1LMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9834521-B2 | Choline kinase inhibitors | ARIAD PHARMACEUTICALS, INC. (US) | 2017-12-05 | — | — | US | disclosed |