Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.50 |
| ▸ | METAP2 | P50579 | 1/20 | 0.50 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30177551 | 0.91 | ALDH1A1 (0.50) | ALDH1A1KDM4EMAPTTSHRHSD17B10 | |
| SCHEMBL940131 | 0.90 | ALDH1A1 (0.60) | ALDH1A1KDM4EMAPTTSHRFOLH1 | |
| SCHEMBL363595 | 0.89 | BCAT2 (0.48) | ALDH1A1KDM4EMAPTTSHRHSD17B10 | |
| SCHEMBL731621 | 0.89 | HMGB1 (0.55) | ALDH1A1KDM4EMAPTTSHRHSD17B10 | |
| SCHEMBL31054164 | 0.89 | MAPT (0.48) | ALDH1A1KDM4EMAPTTSHRHSD17B10 | |
| SCHEMBL10407368 | 0.87 | KDM4E (0.47) | ALDH1A1KDM4EMAPTTSHRHSD17B10 | |
| SCHEMBL1337735 | 0.87 | ALDH1A1 (0.47) | ALDH1A1KDM4EMAPTTSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL4422370 | 0.87 | HMGB1 (0.53) | ALDH1A1KDM4EMAPTTSHRHSD17B10 | |
| SCHEMBL334956 | 0.87 | KMT2A (0.47) | ALDH1A1KDM4EMAPTTSHRHSD17B10 | |
| SCHEMBL7874452 | 0.87 | ALDH1A1 (0.47) | ALDH1A1KDM4EMAPTTSHRHSD17B10 |
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-2008060454-A2 | AMIDE/UREA-MODIFIED LIQUID DIPHENYLMETHANE DIISOCYANATES | BAYER MATERIALSCIENCE LLC (US) | 2008-05-22 | — | — | WO | claimed |