Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NPY1R | P25929 | 1/20 | 0.32 |
| ▸ | NPY2R | P49146 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10944145 | 0.81 | TP53 (0.40) | ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1 | |
| SCHEMBL10944149 | 0.77 | POLB (0.41) | ALDH1A1TSHRSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL5797633 | 0.76 | RAB9A (0.38) | CYP1A2CYP2C19CYP2D6ALDH1A1NPC1 | |
| SCHEMBL15281583 | 0.76 | MAPT (0.42) | CYP1A2CYP2C19CYP2D6ALDH1A1TSHR | |
| SCHEMBL5797354 | 0.75 | FAAH (0.39) | ALDH1A1KMT2AMEN1L3MBTL1HSP90AA1 | |
| SCHEMBL1877347 | 0.73 | CYP1A2 (0.39) | CYP1A2CYP2C19CYP2D6ALDH1A1NPC1 | |
| SCHEMBL2636742 | 0.72 | SMN1; SMN2 (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL11306845 | 0.68 | MAPT (0.35) | ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL28550817 | 0.68 | TDP1 (0.38) | CYP1A2CYP2C19CYP2D6ALDH1A1NPC1 | |
| SCHEMBL10940328 | 0.67 | ALDH1A1 (0.50) | CYP2C19ALDH1A1TSHRHSD17B10NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006037468-A1 | HIV REVERSE TRANSCRIPTASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) | 2006-04-13 | — | — | WO | claimed |