Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.60 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.57 |
| ▸ | TTPA | P49638 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | BCHE | P06276 | 12/20 | 0.53 |
| ▸ | ACHE | P22303 | 12/20 | 0.53 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2059232 | 0.93 | PTGS1 (0.62) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL15137470 | 0.87 | PTGS1 (0.64) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059451 | 0.87 | PTGS1 (0.64) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2058872 | 0.87 | PTGS1 (0.64) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL15137557 | 0.86 | PTGS1 (0.62) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2058855 | 0.86 | PTGS1 (0.62) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL26169545 | 0.85 | PTGS1 (0.58) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059199 | 0.85 | PTGS1 (0.61) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2059279 | 0.85 | PTGS1 (0.61) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL18736231 | 0.85 | PTGS1 (0.61) | 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 3 patents. 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 |
| US-9631096-B2 | Dye compositions, methods of preparation, conjugates thereof, and methods of use | CORNELL UNIVERSITY (US) | 2017-04-25 | — | — | US | disclosed |
| US-20150011731-A1 | DYE COMPOSITIONS, METHODS OF PREPARATION, CONJUGATES THEREOF, AND METHODS OF USE | CORNELL UNIVERSITY (US) | 2015-01-08 | — | — | US | disclosed |