Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 16/20 | 0.52 |
| ▸ | RGS12 | O14924 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LCK | P06239 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.52 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 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 | |
|---|---|---|---|---|
| SCHEMBL413096 | 0.77 | EGFR (0.58) | EGFRRGS12ALDH1A1LCKMAPT | |
| SCHEMBL6258501 | 0.73 | EGFR (0.63) | EGFRRGS12ALDH1A1LCKMAPT | |
| SCHEMBL412893 | 0.72 | KDM4E (0.32) | ALDH1A1 | |
| SCHEMBL7809216 | 0.71 | EGFR (0.81) | EGFRRGS12ALDH1A1LCKMAPT | |
| SCHEMBL1705430 | 0.70 | EGFR (0.75) | EGFRRGS12ALDH1A1LCKMAPT | |
| Lavendustin C SCHEMBL1821516 | 0.69 | EGFR (1.00) | EGFRRGS12ALDH1A1LCKMAPT | |
| Lavendustin C SCHEMBL30569227 | 0.69 | EGFR (1.00) | EGFRRGS12ALDH1A1LCKMAPT | |
| SCHEMBL461117 | 0.69 | HSP90AA1 (0.69) | EGFRRGS12ALDH1A1LCKMAPT | |
| SCHEMBL409990 | 0.68 | EGFR (0.71) | EGFRRGS12ALDH1A1LCKMAPT | |
| Adamantane SCHEMBL28227462 | 0.68 | EGFR (0.55) | EGFRRGS12ALDH1A1LCKMAPT |
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-20120021519-A1 | EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS | PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) | 2012-01-26 | — | — | US | disclosed |
| WO-2010033906-A2 | EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2010-03-25 | — | — | WO | disclosed |