Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.31 |
| ▸ | TEK | Q02763 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
| ▸ | FABP4 | P15090 | 2/20 | 0.31 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.31 |
| ▸ | IDH2 | P48735 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | FABP3 | P05413 | 1/20 | 0.30 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.30 |
| ▸ | TUBB | P07437 | 1/20 | 0.30 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.30 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.30 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.30 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.30 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.30 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.30 |
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 SCHEMBL7399632 | 0.90 | MTNR1A (0.36) | PTGS2AKR1C3AKR1C2MTNR1AMTNR1B | |
| Trifluoroacetic Acid SCHEMBL7307520 | 0.72 | PTGDR2 (0.38) | PTGDR2 | |
| Trifluoroacetic Acid SCHEMBL7400482 | 0.66 | HCRTR1 (0.36) | PTGDR2 | |
| Trifluoroacetic Acid SCHEMBL7313830 | 0.63 | PTGDR (0.45) | MTNR1AMTNR1BPTGDR2 | |
| Trifluoroacetic Acid SCHEMBL7399152 | 0.61 | SIRT1 (0.45) | MTNR1AMTNR1B | |
| Trifluoroacetic Acid SCHEMBL7307842 | 0.59 | PTGDR (0.43) | MTNR1AMTNR1BPTGDR2 | |
| Hydrochloric Acid SCHEMBL7403059 | 0.57 | CA1 (0.39) | MTNR1AMTNR1B | |
| Trifluoroacetic Acid SCHEMBL7401358 | 0.56 | MCL1 (0.40) | MTNR1AMTNR1B | |
| SCHEMBL4199324 | 0.56 | HTR6 (0.52) | PTGS2PTGS1 | |
| Naphthalene SCHEMBL28279265 | 0.55 | CES1 (0.48) | — |
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 |