Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 6/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10909904 | 1.00 | ALDH1A1 (0.68) | ALDH1A1KDM4ETSHRHSD17B10SLC2A1 | |
| SCHEMBL68736 | 0.89 | CES2 (0.55) | ALDH1A1KDM4ETSHRHSD17B10MAPT | |
| SCHEMBL20943429 | 0.89 | ALDH1A1 (0.83) | ALDH1A1KDM4ETSHRHSD17B10MAPT | |
| Methoxymethane SCHEMBL36596 | 0.87 | CES2 (0.53) | ALDH1A1KDM4ETSHRHSD17B10MAPT | |
| SCHEMBL12168990 | 0.83 | NPSR1 (0.56) | ALDH1A1KDM4EMAOBMAPTNPC1 | |
| SCHEMBL6473480 | 0.83 | MAPT (0.49) | ALDH1A1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL67250 | 0.83 | ALDH1A1 (0.73) | ALDH1A1KDM4ETSHRHSD17B10MAPT | |
| SCHEMBL4809737 | 0.81 | RAB9A (0.62) | ALDH1A1MAOBMAPTNPC1RAB9A | |
| SCHEMBL5444947 | 0.81 | HPGD (0.62) | ALDH1A1MAOBMAPTNPC1RAB9A | |
| SCHEMBL11279438 | 0.81 | ALDH1A1 (0.71) | ALDH1A1KDM4ETSHRHSD17B10MAPT |
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-4593113-A | Synthesis of transition metal dithiene complexes | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1986-06-03 | — | — | US | claimed |
| US-4593113-A | Synthesis of transition metal dithiene complexes | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1986-06-03 | — | — | US | disclosed |