Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | CHUK | O15111 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30087787 | 1.00 | ALDH1A1 (0.40) | ALDH1A1HPGDLMNAKMT2AHTT | |
| SCHEMBL30087782 | 1.00 | ALDH1A1 (0.40) | ALDH1A1HPGDLMNAKMT2AHTT | |
| SCHEMBL30087915 | 0.83 | ALDH1A1 (0.40) | ALDH1A1LMNAKMT2AHTTMEN1 | |
| SCHEMBL28919719 | 0.83 | ALDH1A1 (0.40) | ALDH1A1LMNAKMT2AHTTMEN1 | |
| SCHEMBL21921426 | 0.79 | BCHE (0.44) | ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL28604961 | 0.79 | XDH (0.44) | XDHSLC22A12GPR35IKBKBCHUK | |
| SCHEMBL30087939 | 0.79 | XDH (0.44) | XDHSLC22A12GPR35IKBKBCHUK | |
| SCHEMBL28601707 | 0.77 | XDH (0.46) | ALDH1A1HPGDLMNAXDHSLC22A12 | |
| SCHEMBL30088006 | 0.77 | XDH (0.46) | ALDH1A1HPGDLMNAXDHSLC22A12 | |
| SCHEMBL15414664 | 0.71 | VCAM1 (0.48) | ALDH1A1LMNAKMT2AHTTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113015526-A | Spirocyclic 2, 3-dihydro-7-azaindole compounds and uses thereof | 豪夫迈·罗氏有限公司 | 2021-06-22 | — | — | CN | disclosed |