Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.34 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | VNN1 | O95497 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9134829 | 0.81 | L3MBTL1 (0.41) | CYP2D6ALDH1A1BCL2BCL2L1TSHR | |
| SCHEMBL7444181 | 0.79 | TSHR (0.38) | CYP2D6BCL2BCL2L1TSHRCYP1A2 | |
| SCHEMBL7435278 | 0.74 | ALDH1A1 (0.36) | ALDH1A1NR1H4TSHRCYP1A2CYP3A4 | |
| SCHEMBL7436705 | 0.73 | L3MBTL1 (0.37) | CYP2D6BCL2BCL2L1TSHRCYP1A2 | |
| SCHEMBL9130891 | 0.71 | TRPA1 (0.36) | ALDH1A1TSHR | |
| SCHEMBL11394819 | 0.71 | CNR2 (0.44) | CYP2D6ALDH1A1BCL2BCL2L1TSHR | |
| SCHEMBL11092652 | 0.70 | CYP2D6 (0.62) | CYP2D6ALDH1A1BCL2BCL2L1TSHR | |
| SCHEMBL7444375 | 0.69 | TRPA1 (0.39) | TSHRCYP1A2CYP3A4LMNA | |
| SCHEMBL7445854 | 0.69 | SCN1A (0.36) | CYP2D6ALDH1A1TSHRCYP3A4CYP2C19 | |
| SCHEMBL10539899 | 0.69 | CYP2D6 (0.44) | CYP2D6BCL2BCL2L1TSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5430155-A | Viricides, treatment of AIDS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-07-04 | — | — | US | disclosed |
| US-5294720-A | Viricides | THE DUPONT MERCK PHARMACEUTICAL CO. (US) | 1994-03-15 | — | — | US | disclosed |