Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IGF1R | P08069 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16170703 | 0.94 | CYP2A6 (0.50) | IGF1RALOX15CYP2A6CYP1A2SIGMAR1 | |
| SCHEMBL12628596 | 0.86 | CYP2A6 (0.54) | IGF1RALOX15CYP2A6CYP1A2SIGMAR1 | |
| SCHEMBL1648335 | 0.83 | CYP2A6 (0.50) | IGF1RALOX15CYP2A6CYP1A2SIGMAR1 | |
| SCHEMBL9670577 | 0.82 | CYP1A2 (0.50) | IGF1RALOX15CYP1A2SIGMAR1CYP4A11 | |
| SCHEMBL10110755 | 0.81 | CYP2A6 (0.48) | IGF1RALOX15CYP2A6CYP1A2SIGMAR1 | |
| SCHEMBL130490 | 0.81 | CYP1A2 (0.61) | IGF1RALOX15CYP2A6CYP1A2SIGMAR1 | |
| SCHEMBL3403193 | 0.81 | CYP2A6 (0.52) | IGF1RALOX15CYP2A6CYP1A2SIGMAR1 | |
| Ammonia Solution, Strong SCHEMBL27937823 | 0.80 | ESR1 (0.47) | CYP2A6CYP1A2 | |
| SCHEMBL10873954 | 0.80 | CYP1A2 (0.46) | IGF1RALOX15CYP2A6CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL27919205 | 0.80 | ESR1 (0.47) | CYP2A6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3428153-A1 | 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS | Parion Sciences, Inc. (US) | 2019-01-16 | — | — | EP | disclosed |
| EP-2931712-B1 | 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS | PARION SCIENCES INC (US) | 2018-03-21 | — | — | EP | disclosed |