Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 16/20 | 1.00 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21496285 | 1.00 | IDO1 (1.00) | IDO1NPC1ALDH1A1TP53RAB9A | |
| SCHEMBL24118301 | 1.00 | IDO1 (1.00) | IDO1NPC1ALDH1A1TP53RAB9A | |
| SCHEMBL30055680 | 1.00 | IDO1 (1.00) | IDO1NPC1ALDH1A1TP53RAB9A | |
| SCHEMBL24118331 | 0.91 | IDO1 (0.83) | IDO1NPC1ALDH1A1TP53RAB9A | |
| SCHEMBL21496272 | 0.82 | IDO1 (0.73) | IDO1 | |
| SCHEMBL21496271 | 0.82 | IDO1 (0.73) | IDO1 | |
| SCHEMBL30055282 | 0.82 | IDO1 (0.73) | IDO1 | |
| SCHEMBL21496331 | 0.81 | IDO1 (0.71) | IDO1NPC1ALDH1A1RAB9AKMT2A | |
| SCHEMBL21496407 | 0.81 | IDO1 (1.00) | IDO1 | |
| SCHEMBL21496329 | 0.81 | IDO1 (0.71) | IDO1NPC1ALDH1A1RAB9AKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3781142-A1 | NOVEL [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | Merck Sharp&Dohme Corp. (US) | 2021-02-24 | — | — | EP | claimed |
| WO-2019204180-A1 | NOVEL [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2019-10-24 | — | — | WO | claimed |