Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | SLC40A1 | Q9NP59 | 2/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | EDNRA | P25101 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL922001 | 0.74 | AURKA (0.64) | ALDH1A1SMN1; SMN2AURKADHFRLMNA | |
| SCHEMBL5512562 | 0.74 | CA12 (0.41) | ALDH1A1SMN1; SMN2LMNATSHRKMT2A | |
| SCHEMBL7112959 | 0.73 | AURKA (0.54) | ALDH1A1SMN1; SMN2AURKADHFRLMNA | |
| SCHEMBL6070088 | 0.73 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| SCHEMBL6069999 | 0.72 | LMNA (0.53) | ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL15018957 | 0.69 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2LMNAMEN1KMT2A | |
| SCHEMBL4573318 | 0.68 | POLB (0.53) | ALDH1A1SMN1; SMN2LMNATSHRMEN1 | |
| SCHEMBL5087497 | 0.68 | ALDH1A1 (0.31) | ALDH1A1TSHR | |
| SCHEMBL314901 | 0.68 | CA1 (0.39) | LMNAPOLB | |
| SCHEMBL27952384 | 0.68 | HSD11B1 (0.33) | ALDH1A1LMNA |
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-2016040449-A1 | 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF | RAZE THERAPEUTICS, INC. (US) | 2016-03-17 | — | — | WO | disclosed |