Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | AGXT | P21549 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.34 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL12885577 | 0.94 | C3AR1 (0.37) | IDO1C3AR1MIFCYP1A2CYP2A6 | |
| SCHEMBL19130299 | 0.82 | CYP2A6 (0.41) | MIFCYP2A6TAAR1TRPA1TDP1 | |
| SCHEMBL28396661 | 0.81 | IDO1 (0.44) | IDO1C3AR1MIFCYP1A2CYP2A6 | |
| SCHEMBL436823 | 0.79 | IDO1 (0.42) | IDO1C3AR1MIFCYP1A2CYP2A6 | |
| SCHEMBL1706732 | 0.77 | MIF (0.63) | IDO1C3AR1MIFCYP1A2CYP2A6 | |
| SCHEMBL14925996 | 0.77 | TAAR1 (0.38) | IDO1MIFCYP2A6TAAR1TRPA1 | |
| SCHEMBL6549156 | 0.76 | MIF (0.60) | IDO1MIFCYP2A6TRPA1ALDH1A1 | |
| SCHEMBL260523 | 0.74 | IDO1 (0.38) | IDO1C3AR1MIFCYP1A2CYP2A6 | |
| SCHEMBL14926004 | 0.74 | ALDH1A1 (0.47) | IDO1MIFCYP1A2TAAR1TRPA1 | |
| SCHEMBL12228503 | 0.73 | IDO1 (0.46) | IDO1C3AR1CYP1A2CYP2A6TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018078149-A1 | NOVEL CYCLICSULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2018-05-03 | — | — | WO | disclosed |
| WO-2018050571-A1 | COMBINED TREATMENT WITH A TLR7 AGONIST AND AN HBV CAPSID ASSEMBLY INHIBITOR | F. HOFFMANN-LA ROCHE AG (CH) | 2018-03-22 | — | — | WO | disclosed |