Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9999712 | 0.87 | CYP3A4 (0.53) | NPC1SMN1; SMN2CYP3A4ALDH1A1TSHR | |
| SCHEMBL11067722 | 0.87 | CYP3A4 (0.59) | NPC1SMN1; SMN2CYP3A4ALDH1A1TSHR | |
| SCHEMBL27571763 | 0.85 | NPC1 (0.66) | NPC1SMN1; SMN2CYP3A4MAPTALDH1A1 | |
| SCHEMBL6771209 | 0.81 | TSHR (0.59) | NPC1SMN1; SMN2CYP3A4MAPTALDH1A1 | |
| SCHEMBL1172383 | 0.80 | SMN1; SMN2 (0.78) | NPC1SMN1; SMN2CYP3A4MAPTALDH1A1 | |
| SCHEMBL91307 | 0.80 | NPC1 (0.59) | NPC1SMN1; SMN2CYP3A4MAPTALDH1A1 | |
| SCHEMBL18983905 | 0.80 | NPC1 (0.59) | NPC1SMN1; SMN2CYP3A4MAPTALDH1A1 | |
| SCHEMBL7629781 | 0.79 | SMN1; SMN2 (0.46) | NPC1SMN1; SMN2CYP3A4ALDH1A1TSHR | |
| SCHEMBL6577966 | 0.79 | CYP3A4 (0.46) | SMN1; SMN2CYP3A4ALDH1A1TSHRHTT | |
| SCHEMBL6582839 | 0.79 | CYP3A4 (0.46) | NPC1SMN1; SMN2CYP3A4MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4442115-A | ANTI-ASTHMA | MAY & BAKER LIMITED (GB) | 1984-04-10 | — | — | US | disclosed |