Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.66 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.61 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.61 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 4/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | GFER | P55789 | 2/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11277514 | 0.87 | HTT (0.60) | SMN1; SMN2MAPTPOLBHPGDGAA | |
| SCHEMBL11286791 | 0.86 | HTT (0.59) | SMN1; SMN2MAPTPOLBHPGDGFER | |
| SCHEMBL11278425 | 0.86 | HTT (0.59) | SMN1; SMN2MAPTPOLBHPGDGFER | |
| SCHEMBL2236750 | 0.85 | SMN1; SMN2 (0.84) | SMN1; SMN2MAPTHPGDGAAGFER | |
| SCHEMBL16000496 | 0.84 | SMN1; SMN2 (0.53) | SMN1; SMN2PTGS1AKR1C3AKR1C2MAPT | |
| SCHEMBL16002916 | 0.83 | SMN1; SMN2 (0.56) | SMN1; SMN2PTGS1AKR1C3AKR1C2MAPT | |
| SCHEMBL11279909 | 0.80 | HTT (0.57) | SMN1; SMN2POLBHPGDGAANPC1 | |
| Methane SCHEMBL11454283 | 0.79 | PTGS1 (0.56) | SMN1; SMN2PTGS1AKR1C3AKR1C2MAPT | |
| SCHEMBL9580340 | 0.79 | FAAH (0.62) | SMN1; SMN2PTGS1AKR1C3AKR1C2MAPT | |
| SCHEMBL17572088 | 0.77 | HTT (0.61) | SMN1; SMN2MAPTPOLBHPGDGFER |
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-4327022-A | Heterocyclic alkyl naphthols | STERLING DRUG INC. (US) | 1982-04-27 | — | — | US | disclosed |
| US-4169108-A | 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols | STERLING DRUG INC. (US) | 1979-09-25 | — | — | US | disclosed |