Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.41 |
| ▸ | SQLE | Q14534 | 2/20 | 0.40 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
| ▸ | FNTB | P49356 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8600822 | 1.00 | ALDH1A1 (0.50) | ALDH1A1KMT2AKDM4EATMALOX15 | |
| SCHEMBL28246773 | 0.76 | ALDH1A1 (0.32) | ALDH1A1MAPTTSHR | |
| SCHEMBL5313001 | 0.76 | — | — | |
| SCHEMBL12522611 | 0.74 | ALDH1A1 (0.48) | ALDH1A1KMT2AKDM4EATMALOX15 | |
| SCHEMBL8464166 | 0.74 | KMT2A (0.55) | ALDH1A1KMT2AKDM4EATMALOX15 | |
| SCHEMBL8604581 | 0.72 | — | — | |
| SCHEMBL8599390 | 0.72 | — | — | |
| SCHEMBL1785866 | 0.72 | — | — | |
| SCHEMBL1785867 | 0.72 | — | — | |
| SCHEMBL8599389 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3971830-A | PALLADIUM CATALYST | RHODIA, INC. (US) | 1976-07-27 | — | — | US | claimed |
| US-3971831-A | PALLADIUM CATALYST | RHONE-POULENC S.A. (FR) | 1976-07-27 | — | — | US | claimed |
| US-5710290-A | Functionalized cycloaliphatic nitrile oxides | THE DOW CHEMICAL COMPANY (US) | 1998-01-20 | — | — | US | disclosed |
| US-4029709-A | Process for the hydrogenation of citral to citronellal and of citronellal to citronellol using chromium-promoted Raney nickel catalyst | RHODIA, INC. (US) | 1977-06-14 | — | — | US | disclosed |
| US-3971831-A | PALLADIUM CATALYST | RHONE-POULENC S.A. (FR) | 1976-07-27 | — | — | US | disclosed |
| US-3971830-A | PALLADIUM CATALYST | RHODIA, INC. (US) | 1976-07-27 | — | — | US | disclosed |