Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 1.00 |
| ▸ | RXRA | P19793 | 2/20 | 0.69 |
| ▸ | RXRB | P28702 | 2/20 | 0.69 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | PLK1 | P53350 | 1/20 | 0.59 |
| ▸ | BCL2 | P10415 | 1/20 | 0.58 |
| ▸ | RARB | P10826 | 6/20 | 0.57 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1330335 | 1.00 | ALDH1A1 (1.00) | ALDH1A1RXRARXRBTP53TSHR | |
| SCHEMBL19901 | 1.00 | ALDH1A1 (1.00) | ALDH1A1RXRARXRBTP53TSHR | |
| SCHEMBL6913296 | 0.98 | ALDH1A1 (0.95) | ALDH1A1RXRARXRBTP53TSHR | |
| SCHEMBL6911296 | 0.98 | ALDH1A1 (0.95) | ALDH1A1RXRARXRBTP53TSHR | |
| SCHEMBL6915465 | 0.98 | ALDH1A1 (0.95) | ALDH1A1RXRARXRBTP53TSHR | |
| SCHEMBL6909050 | 0.98 | ALDH1A1 (0.95) | ALDH1A1RXRARXRBTP53TSHR | |
| SCHEMBL6909401 | 0.98 | ALDH1A1 (0.95) | ALDH1A1RXRARXRBTP53TSHR | |
| SCHEMBL2590166 | 0.98 | ALDH1A1 (0.95) | ALDH1A1RXRARXRBTP53TSHR | |
| Ammonia Solution, Strong SCHEMBL22042012 | 0.98 | ALDH1A1 (0.95) | ALDH1A1RXRARXRBTP53TSHR | |
| SCHEMBL8972050 | 0.98 | ALDH1A1 (0.95) | ALDH1A1RXRARXRBTP53TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |