Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.41 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28459583 | 0.79 | PDK1 (0.64) | IDO1KCNH2PDK1PDK2PDK3 | |
| SCHEMBL3948225 | 0.78 | HDAC1 (0.61) | IDO1KCNH2HDAC1HDAC6AVPR2 | |
| SCHEMBL22397599 | 0.77 | IDO1 (0.55) | IDO1KCNH2 | |
| SCHEMBL22397647 | 0.75 | KDM4E (0.51) | IDO1KCNH2PDK1PDK2PDK3 | |
| SCHEMBL23494348 | 0.73 | IDO1 (0.70) | IDO1KCNH2HDAC1HDAC6ALDH1A1 | |
| SCHEMBL22397608 | 0.73 | IDO1 (0.70) | IDO1KCNH2HDAC1HDAC6ALDH1A1 | |
| SCHEMBL23494437 | 0.73 | IDO1 (0.70) | IDO1KCNH2HDAC1HDAC6ALDH1A1 | |
| SCHEMBL22397698 | 0.72 | IDO1 (0.68) | IDO1KCNH2HDAC1HDAC6ALDH1A1 | |
| SCHEMBL22397683 | 0.72 | IDO1 (1.00) | IDO1KCNH2HDAC1HDAC6ALDH1A1 | |
| SCHEMBL23494330 | 0.71 | IDO1 (0.70) | IDO1KCNH2HDAC1HDAC6PDK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3703692-A1 | NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2020-09-09 | — | — | EP | disclosed |