Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | PTPRA | P18433 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PTGFR | P43088 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | FDPS | P14324 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
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 SCHEMBL7477588 | 1.00 | CYP1A2 (0.52) | CYP1A2SMN1; SMN2CYP2D6MAPTTSHR | |
| SCHEMBL7336481 | 0.92 | PTPRA (0.57) | CYP1A2SMN1; SMN2CYP2D6MAPTTSHR | |
| SCHEMBL7481222 | 0.92 | PTPRA (0.57) | CYP1A2SMN1; SMN2CYP2D6MAPTTSHR | |
| SCHEMBL12204079 | 0.86 | ESR1 (0.50) | CYP1A2SMN1; SMN2CYP2D6MAPTTSHR | |
| SCHEMBL11989413 | 0.80 | ACACB (0.56) | CYP1A2SMN1; SMN2CYP2D6MAPTTSHR | |
| SCHEMBL8385587 | 0.80 | ACACB (0.56) | CYP1A2SMN1; SMN2CYP2D6MAPTTSHR | |
| SCHEMBL8385561 | 0.80 | ACACB (0.56) | CYP1A2SMN1; SMN2CYP2D6MAPTTSHR | |
| SCHEMBL7906506 | 0.79 | PTPRA (0.51) | CYP1A2SMN1; SMN2CYP2D6MAPTTSHR | |
| SCHEMBL7897134 | 0.79 | PTPRA (0.51) | CYP1A2SMN1; SMN2CYP2D6MAPTTSHR | |
| SCHEMBL14819096 | 0.77 | POLB (0.53) | CYP1A2SMN1; SMN2CYP2D6MAPTTSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5968938-A | Piperazine oxytocin receptor antagonists | MERCK & CO., INC. (US) | 1999-10-19 | — | — | US | disclosed |