Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14117658 | 0.77 | ALDH1A1 (0.38) | KMT2AALDH1A1POLBTSHRGAA | |
| SCHEMBL22138255 | 0.71 | HPGD (0.67) | KMT2AHPGDALDH1A1POLBTSHR | |
| SCHEMBL14314758 | 0.70 | HPGD (0.68) | KMT2AHPGDALDH1A1POLBTSHR | |
| SCHEMBL2377982 | 0.69 | KMT2A (0.59) | KMT2AHPGDALDH1A1POLBTSHR | |
| SCHEMBL2377858 | 0.68 | GAA (0.55) | KMT2AHPGDALDH1A1TSHRTP53 | |
| SCHEMBL18753364 | 0.68 | AKR1C1 (0.59) | KMT2AHPGDALDH1A1TSHRTP53 | |
| SCHEMBL2376730 | 0.68 | HPGD (0.67) | KMT2AHPGDALDH1A1GAASMN1; SMN2 | |
| SCHEMBL15651212 | 0.67 | ALDH1A1 (0.58) | KMT2AHPGDALDH1A1POLBTSHR | |
| SCHEMBL20632698 | 0.65 | ALDH1A1 (0.52) | KMT2AHPGDALDH1A1TSHRTP53 | |
| SCHEMBL18753647 | 0.65 | ALDH1A1 (0.49) | KMT2AHPGDALDH1A1POLBTSHR |
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-2014139325-A1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS | AGIOS PHARMACEUTICALS, INC. (US) | 2014-09-18 | — | — | WO | disclosed |