Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 8/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2964248 | 0.89 | ALDH1A1 (0.54) | ALDH1A1NPC1LMNAMAPTMEN1 | |
| SCHEMBL2958969 | 0.76 | DTYMK (0.52) | ALDH1A1NPC1LMNAMAPTRAB9A | |
| SCHEMBL2960599 | 0.76 | ALDH1A1 (0.41) | ALDH1A1NPC1LMNAMAPTKMT2A | |
| SCHEMBL2964860 | 0.74 | ALDH1A1 (0.52) | ALDH1A1NPC1LMNAMAPTMEN1 | |
| SCHEMBL31716217 | 0.69 | MTNR1A (0.39) | ALDH1A1NPC1LMNAMAPTMEN1 | |
| SCHEMBL1964625 | 0.68 | KIT (0.47) | ALDH1A1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL3708001 | 0.68 | HTR2A (0.52) | KDM1A | |
| SCHEMBL2902092 | 0.67 | KDM1A (0.55) | KDM1AIDO1TDO2IDO2 | |
| SCHEMBL17782876 | 0.67 | DTYMK (0.73) | IDO1TDO2IDO2 | |
| SCHEMBL6331373 | 0.67 | MCHR1 (0.57) | — |
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-7772237-B2 | Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives | CEPHALON FRANCE (FR) | 2010-08-10 | — | — | US | disclosed |