Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.57 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | TTPA | P49638 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 17/20 | 0.49 |
| ▸ | BCHE | P06276 | 16/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14950754 | 1.00 | PTGS1 (0.57) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059281 | 0.93 | PTGS1 (0.62) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL15137514 | 0.91 | PTGS1 (0.57) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL15137509 | 0.90 | PTGS1 (0.56) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL16378310 | 0.90 | PTGS1 (0.58) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059458 | 0.90 | PTGS1 (0.58) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL15137481 | 0.89 | PTGS1 (0.57) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL14950805 | 0.85 | PTGS1 (0.58) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL14950726 | 0.85 | PTGS1 (0.58) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL14950742 | 0.83 | TTPA (0.55) | PTGS1PTGS2CYP1A2CYP3A4TSHR |
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-9631096-B2 | Dye compositions, methods of preparation, conjugates thereof, and methods of use | CORNELL UNIVERSITY (US) | 2017-04-25 | — | — | US | disclosed |