Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.39 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.39 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.39 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.39 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.39 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7923406 | 0.84 | MEN1 (0.49) | CYP3A4PTGS2BCHEACHEMAOB | |
| SCHEMBL7923413 | 0.84 | MEN1 (0.49) | CYP3A4PTGS2BCHEACHEMAOB | |
| SCHEMBL6449282 | 0.76 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19PTGS2PTGS1 | |
| SCHEMBL6449288 | 0.76 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19PTGS2PTGS1 | |
| SCHEMBL21841016 | 0.75 | LCK (0.55) | CYP2C19PTGS2PTGS1MAOBRELA | |
| SCHEMBL16865348 | 0.73 | CYP2C9 (0.45) | CYP3A4CYP2C9CYP2C19PTGS2BCHE | |
| SCHEMBL16865352 | 0.73 | CYP2C9 (0.45) | CYP3A4CYP2C9CYP2C19PTGS2BCHE | |
| SCHEMBL31376558 | 0.73 | CYP2C9 (0.45) | CYP3A4CYP2C9CYP2C19PTGS2BCHE | |
| SCHEMBL12241652 | 0.72 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19PTGS2PTGS1 | |
| SCHEMBL28847935 | 0.72 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19PTGS2PTGS1 |
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-9822123-B2 | De novo synthesis of bacteriochlorins | NORTH CAROLINA STATE UNIVERSITY (US) | 2017-11-21 | — | — | US | disclosed |