Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | NCK1 | P16333 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL26803625 | 0.82 | MEN1 (0.46) | CYP1A2ALDH1A1MEN1KMT2ANPC1 | |
| SCHEMBL27887111 | 0.82 | BACE1 (0.46) | CYP1A2BACE1ALDH1A1NPC1RAB9A | |
| SCHEMBL6194060 | 0.81 | MEN1 (0.57) | HSD17B14CYP1A2NCK1BACE1ALDH1A1 | |
| SCHEMBL26802086 | 0.81 | CYP1A2 (0.55) | HSD17B14CYP1A2NCK1BACE1ALDH1A1 | |
| SCHEMBL8001647 | 0.81 | CYP1A2 (0.56) | HSD17B14CYP1A2NCK1BACE1ALDH1A1 | |
| SCHEMBL8001646 | 0.80 | SMN1; SMN2 (0.49) | HSD17B14CYP1A2NCK1BACE1ALDH1A1 | |
| SCHEMBL283861 | 0.80 | MEN1 (0.42) | MEN1KMT2A | |
| SCHEMBL8007815 | 0.79 | NCK1 (0.55) | HSD17B14CYP1A2NCK1BACE1ALDH1A1 | |
| SCHEMBL30417045 | 0.77 | MGAM (0.61) | CYP1A2ALDH1A1NPC1NFKB1RAB9A | |
| SCHEMBL8237398 | 0.77 | MGAM (0.61) | CYP1A2ALDH1A1NPC1NFKB1RAB9A |
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-2011091446-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2011-07-28 | — | — | WO | disclosed |