Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | PHGDH | O43175 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL735366 | 0.82 | CYP1A2 (0.56) | CYP1A2TDP1HTR1AHTTHSD11B1 | |
| SCHEMBL735365 | 0.82 | CYP1A2 (0.56) | CYP1A2TDP1HTR1AHTTHSD11B1 | |
| SCHEMBL2288243 | 0.80 | CYP1A2 (0.54) | CYP1A2TDP1HTR1AHTTHSD11B1 | |
| SCHEMBL5470776 | 0.73 | CYP1A2 (0.65) | CYP1A2TDP1HTR1AHTTHSD11B1 | |
| SCHEMBL33260 | 0.70 | CYP1A2 (1.00) | CYP1A2TDP1HTR1AHTTHSD11B1 | |
| SCHEMBL1965092 | 0.70 | CYP1A2 (0.62) | CYP1A2TDP1HTR1AHTTHSD11B1 | |
| SCHEMBL15531 | 0.70 | TDP1 (0.62) | CYP1A2TDP1HTR1AHTTHSD11B1 | |
| SCHEMBL13925516 | 0.70 | CYP1A2 (1.00) | CYP1A2TDP1HTR1AHTTHSD11B1 | |
| SCHEMBL4508546 | 0.70 | TDP1 (0.62) | CYP1A2TDP1HTR1AHTTHSD11B1 | |
| Hydrochloric Acid SCHEMBL15209250 | 0.70 | CYP1A2 (0.62) | CYP1A2TDP1HTR1AHTTHSD11B1 |
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-2017087667-A9 | A SOLID STATE FORM OF PLADIENOLIDE PYRIDINE COMPOUNDS AND METHODS OF USE | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2017-10-12 | — | — | WO | disclosed |
| WO-2005030237-A1 | A PHARMACEUTICAL COMPOSITION COMPRISING CATHARANTHUS ROSEAUS, (VINCA ROSEA), ITS PREPARATION AND USE THEREOF | SEÑOR RAFAEL PHIL. INC. (PH) | 2005-04-07 | — | — | WO | disclosed |