Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.51 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | HPGDS | O60760 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1421843 | 0.89 | MKNK1 (0.62) | NPC1SMN1; SMN2RAB9AALDH1A1MAPT | |
| SCHEMBL14343335 | 0.87 | CYP3A4 (0.63) | NPC1SMN1; SMN2RAB9AALDH1A1MAPT | |
| SCHEMBL29548990 | 0.87 | CYP3A4 (0.56) | NPC1SMN1; SMN2RAB9AALDH1A1MAPT | |
| SCHEMBL5392323 | 0.87 | CYP3A4 (0.56) | NPC1SMN1; SMN2RAB9AALDH1A1MAPT | |
| SCHEMBL12725601 | 0.87 | NPC1 (0.49) | NPC1SMN1; SMN2RAB9AALDH1A1MAPT | |
| SCHEMBL16807425 | 0.87 | TLR7 (0.54) | NPC1SMN1; SMN2RAB9AALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL1421806 | 0.86 | NPC1 (0.48) | NPC1SMN1; SMN2RAB9AALDH1A1MAPT | |
| SCHEMBL11388698 | 0.84 | ALDH1A1 (0.51) | NPC1SMN1; SMN2RAB9AALDH1A1MAPT | |
| SCHEMBL24702452 | 0.83 | HPGDS (0.54) | NPC1SMN1; SMN2RAB9AALDH1A1MAPT | |
| SCHEMBL12725708 | 0.83 | PDE10A (0.53) | NPC1SMN1; SMN2RAB9AALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-102850324-A | Indole compounds | MICROBIA INC | 2013-01-02 | — | — | CN | disclosed |
| CN-101563337-A | Indole compounds | MICROBIA INC (US) | 2009-10-21 | — | — | CN | disclosed |