Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DEGS1 | O15121 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 6/20 | 0.55 |
| ▸ | RAB9A | P51151 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ABL1 | P00519 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30321414 | 1.00 | DEGS1 (0.57) | DEGS1NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL23536835 | 0.93 | NPC1 (0.61) | DEGS1NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL15007009 | 0.82 | GAA (0.51) | DEGS1NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL31241087 | 0.81 | RAB9A (0.58) | NPC1RAB9AALDH1A1SMN1; SMN2ABL1 | |
| SCHEMBL13681825 | 0.80 | GSK3B (0.49) | DEGS1NPC1RAB9A | |
| SCHEMBL14563989 | 0.80 | GSK3B (0.49) | DEGS1NPC1RAB9A | |
| SCHEMBL7882551 | 0.79 | NPY5R (0.68) | NPC1RAB9AABL1 | |
| Bromide SCHEMBL4100353 | 0.79 | GSK3B (0.48) | DEGS1NPC1RAB9A | |
| SCHEMBL20284163 | 0.77 | DEGS1 (0.66) | DEGS1NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL31241035 | 0.77 | NPC1 (0.62) | NPC1RAB9AALDH1A1SMN1; SMN2ABL1 |
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-111344287-B | Novel substituted biaryl compounds as indoleamine 2, 3-dioxygenase (IDO) inhibitors | 默沙东有限责任公司 | 2023-12-19 | — | — | CN | disclosed |