Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | HBB | P68871 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6379234 | 0.85 | ALDH1A1 (0.54) | ALDH1A1NFKB1FDPSGPR84FFAR4 | |
| SCHEMBL8897388 | 0.85 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRNFKB1FDPS | |
| SCHEMBL6379592 | 0.84 | — | — | |
| SCHEMBL6379596 | 0.84 | — | — | |
| Nitric Acid SCHEMBL8526045 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRNFKB1CYP3A4 | |
| Nitric Acid SCHEMBL8584091 | 0.82 | ALDH1A1 (0.50) | ALDH1A1NFKB1FDPSGPR84FFAR4 | |
| SCHEMBL2460939 | 0.79 | — | — | |
| SCHEMBL9808441 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TDP1MEN1LMNABLM | |
| SCHEMBL6383560 | 0.78 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRNFKB1FDPS | |
| SCHEMBL6383565 | 0.78 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRNFKB1FDPS |
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-1272105-A | Compound containing six-membered rings, processes for their preparation, and their use as medicaments | GILEAD SCIENCES INC (US) | 2000-11-01 | — | — | CN | disclosed |