Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.64 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | APP | P05067 | 1/20 | 0.53 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL27821745 | 0.82 | CYP2A6 (0.69) | CYP2A6IMPDH2HPGDHTTAPP | |
| SCHEMBL10489040 | 0.82 | CYP2A6 (0.69) | CYP2A6IMPDH2HPGDHTTAPP | |
| SCHEMBL29467928 | 0.78 | CYP2A6 (0.64) | CYP2A6IMPDH2HPGDHTTAPP | |
| SCHEMBL13759052 | 0.78 | CYP2A6 (0.64) | CYP2A6IMPDH2HPGDHTTAPP | |
| 3-Formylindole SCHEMBL30782674 | 0.78 | CYP2A6 (1.00) | CYP2A6IMPDH2HPGDHTTAPP | |
| 3-Formylindole SCHEMBL38654556 | 0.78 | CYP2A6 (1.00) | CYP2A6IMPDH2HPGDHTTAPP | |
| 3-Formylindole SCHEMBL19180195 | 0.78 | CYP2A6 (0.70) | CYP2A6IMPDH2HPGDHTTAPP | |
| SCHEMBL79559 | 0.78 | CYP2A6 (0.64) | CYP2A6IMPDH2HPGDHTTAPP | |
| 3-Formylindole SCHEMBL56373 | 0.78 | CYP2A6 (1.00) | CYP2A6IMPDH2HPGDHTTAPP | |
| SCHEMBL315329 | 0.78 | CYP2A6 (0.64) | CYP2A6IMPDH2HPGDHTTAPP |
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-2012171337-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC. (US) | 2012-12-20 | — | — | WO | disclosed |