Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.35 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7402879 | 0.87 | KDM1A (0.33) | PTGDR2MAPT | |
| Trifluoroacetic Acid SCHEMBL7403856 | 0.86 | PTGDR2 (0.40) | PTGDR2CNR2 | |
| Trifluoroacetic Acid SCHEMBL7400482 | 0.82 | HCRTR1 (0.36) | PTGDR2 | |
| Trifluoroacetic Acid SCHEMBL7318205 | 0.72 | ICMT (0.41) | — | |
| SCHEMBL5739744 | 0.71 | SCD (0.42) | PTGDR2DHODHKDM4EMTNR1AMTNR1B | |
| SCHEMBL5736875 | 0.66 | MAPT (0.41) | KDM4EMAPTMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL7399632 | 0.65 | MTNR1A (0.36) | KDM4EMTNR1AMTNR1BMEN1KMT2A | |
| SCHEMBL5767326 | 0.64 | CCR1 (0.39) | DHODHCYP3A4MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL3750230 | 0.62 | FFAR1 (0.49) | TAAR1FFAR4FFAR1 | |
| Trifluoroacetic Acid SCHEMBL7402169 | 0.61 | MTNR1A (0.38) | DHODHCYP2C9MTNR1AMTNR1BMEN1 |
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-2001034146-A1 | NOVEL ANTI-INFECTIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-17 | — | — | WO | claimed |
| WO-2001034146-A1 | NOVEL ANTI-INFECTIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2001-05-17 | — | — | WO | disclosed |