Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11647400 | 0.88 | NPSR1 (0.51) | CYP1A2TSHRNPSR1CYP2C9KMT2A | |
| SCHEMBL11650922 | 0.88 | CYP1A2 (0.46) | CYP1A2TSHRNPSR1CYP2C9KMT2A | |
| SCHEMBL11648233 | 0.85 | CYP1A2 (0.62) | CYP1A2TSHRNPSR1CYP2C9KMT2A | |
| SCHEMBL11648747 | 0.84 | CYP1A2 (0.62) | CYP1A2TSHRNPSR1CYP2C9CYP2C19 | |
| SCHEMBL11650706 | 0.81 | NPSR1 (0.59) | CYP1A2TSHRNPSR1CYP2C9KMT2A | |
| SCHEMBL11649200 | 0.79 | CYP1A2 (0.67) | CYP1A2TSHRNPSR1CYP2C9KMT2A | |
| SCHEMBL11644263 | 0.78 | CYP1A2 (0.62) | CYP1A2TSHRNPSR1CYP2C9CYP2C19 | |
| SCHEMBL11648083 | 0.77 | CYP1A2 (0.55) | CYP1A2TSHRNPSR1CYP2C9KMT2A | |
| SCHEMBL11647620 | 0.76 | CYP1A2 (0.58) | CYP1A2TSHRNPSR1CYP2C9KMT2A | |
| SCHEMBL11651601 | 0.75 | CYP1A2 (0.57) | CYP1A2TSHRNPSR1CYP2C9KMT2A |
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-4070366-A | RING ALKYLATION OF SUBSTITUTED PYRROLES, ONE STEP | CANADIAN PATENTS & DEVELOPMENT LIMITED (US) | 1978-01-24 | — | — | US | disclosed |