Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.35 |
| ▸ | STAMBP | O95630 | 1/20 | 0.35 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8549885 | 0.86 | HTT (0.37) | BACE1HTTKMT2ASMN1; SMN2NAMPT | |
| SCHEMBL8483322 | 0.84 | ALDH1A1 (0.40) | SMN1; SMN2TDP1PSMD14STAMBPCYP3A4 | |
| SCHEMBL8481458 | 0.83 | BACE1 (0.49) | BACE1HTTKMT2ASMN1; SMN2NAMPT | |
| SCHEMBL8481516 | 0.83 | HTT (0.49) | HTTKMT2ASMN1; SMN2NAMPTTBXAS1 | |
| SCHEMBL8477200 | 0.75 | ALDH1A1 (0.41) | SMN1; SMN2PSMD14STAMBPCYP3A4HTR2C | |
| SCHEMBL8479651 | 0.74 | BACE1 (0.50) | BACE1TBXAS1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8550527 | 0.72 | BACE1 (0.48) | BACE1TBXAS1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8479969 | 0.70 | CYP51A1 (0.50) | KMT2ANAMPTTDP1TBXAS1CYP3A4 | |
| SCHEMBL8476550 | 0.70 | TBXAS1 (0.50) | NAMPTTBXAS1C3AR1CYP3A4CYP1A2 | |
| SCHEMBL5016747 | 0.65 | CHRNA7 (0.57) | TDP1TBXAS1CYP1A2L3MBTL1 |
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-0865431-A2 | COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1998-09-23 | — | — | EP | disclosed |
| WO-1997020815-A1 | COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1997-06-12 | — | — | WO | disclosed |