Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL11405726 | 0.81 | IDO1 (0.59) | IDO1ALDH1A1HPGD | |
| SCHEMBL11454361 | 0.80 | MAPT (0.46) | CYP1A2ALDH1A1NPC1RAB9AHIF1A | |
| SCHEMBL2230553 | 0.79 | NPC1 (0.48) | ALDH1A1NPC1RAB9AHPGDHTT | |
| SCHEMBL26385190 | 0.79 | NPC1 (0.48) | ALDH1A1NPC1RAB9AHPGDHTT | |
| SCHEMBL4050170 | 0.78 | ALDH1A1 (0.50) | CYP1A2ALDH1A1CA2NPC1RAB9A | |
| SCHEMBL11336488 | 0.78 | CA12 (0.56) | CYP1A2ALDH1A1CA12CA2MMP2 | |
| SCHEMBL143227 | 0.77 | ALDH1A1 (0.34) | CYP1A2IDO1ALDH1A1CA2NPC1 | |
| SCHEMBL11707890 | 0.74 | KDM4E (0.38) | CYP1A2ALDH1A1NPC1RAB9ACYP2C9 | |
| SCHEMBL19848459 | 0.73 | SIGMAR1 (0.39) | ALDH1A1NPC1RAB9AHPGDCYP2C9 | |
| SCHEMBL1004808 | 0.73 | ALDH1A1 (0.40) | CYP1A2CYP2A6ALDH1A1CYP2C9 |
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-2772480-B2 | HIV REPLICATION INHIBITOR | SHIONOGI & CO (JP) | 2020-12-09 | — | — | EP | disclosed |
| EP-2772480-B1 | HIV REPLICATION INHIBITOR | SHIONOGI & CO (JP) | 2018-05-23 | — | — | EP | disclosed |