Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.65 |
| ▸ | SQLE | Q14534 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.65 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.65 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.65 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | EBP | Q15125 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30408182 | 0.99 | SIGMAR1 (0.64) | SIGMAR1SQLELMNACYP2D6SLC6A2 | |
| Hydrochloric Acid SCHEMBL31374682 | 0.99 | SIGMAR1 (0.64) | SIGMAR1SQLELMNACYP2D6SLC6A2 | |
| Terbinafine SCHEMBL31374681 | 0.79 | CYP2D6 (1.00) | SIGMAR1SQLELMNACYP2D6SLC6A2 | |
| Terbinafine SCHEMBL37843 | 0.79 | CYP2D6 (1.00) | SIGMAR1SQLELMNACYP2D6SLC6A2 | |
| Terbinafine SCHEMBL5279646 | 0.79 | CYP2D6 (1.00) | SIGMAR1SQLELMNACYP2D6SLC6A2 | |
| Terbinafine SCHEMBL36794 | 0.79 | CYP2D6 (1.00) | SIGMAR1SQLELMNACYP2D6SLC6A2 | |
| Terbinafine SCHEMBL2042785 | 0.79 | CYP2D6 (1.00) | SIGMAR1SQLELMNACYP2D6SLC6A2 | |
| Terbinafine SCHEMBL2028187 | 0.79 | CYP2D6 (1.00) | SIGMAR1SQLELMNACYP2D6SLC6A2 | |
| Terbinafine SCHEMBL29627458 | 0.79 | CYP2D6 (1.00) | SIGMAR1SQLELMNACYP2D6SLC6A2 | |
| Terbinafine SCHEMBL29353314 | 0.79 | CYP2D6 (1.00) | SIGMAR1SQLELMNACYP2D6SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3581566-A2 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS | CELLIX BIO PRIVATE LIMITED (IN) | 2019-12-18 | — | — | EP | disclosed |