Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.33 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.32 |
| ▸ | FPR2 | P25090 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19859834 | 0.77 | TAAR1 (0.36) | ALDH1A1KDM4ETAAR1ADRA2AADRA2B | |
| SCHEMBL9440949 | 0.76 | ALDH1A1 (0.37) | ALDH1A1KDM4ETAAR1ADRA2AADRA2B | |
| SCHEMBL31169778 | 0.75 | ALDH1A1 (0.39) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14863782 | 0.74 | ALDH1A1 (0.37) | ALDH1A1KDM4E | |
| SCHEMBL7426536 | 0.73 | TAAR1 (0.38) | ALDH1A1KDM4ETAAR1NPC1RAB9A | |
| SCHEMBL10434593 | 0.72 | ALDH1A1 (0.41) | ALDH1A1TAAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL28470761 | 0.71 | CSNK1A1 (0.35) | ALDH1A1KDM4ENPC1RAB9AFDPS | |
| SCHEMBL14863781 | 0.71 | ABCB1 (0.33) | ALDH1A1ADRA2BADRA2CRAB9ASMN1; SMN2 | |
| SCHEMBL7622887 | 0.69 | TAAR1 (0.45) | ALDH1A1TAAR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL391774 | 0.68 | ALDH1A1 (0.37) | ALDH1A1KDM4ETAAR1ADRA2AADRA2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-2178537-A1 | BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009011836-A1 | BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS | MERCK & CO., INC. (US) | 2009-01-22 | — | — | WO | disclosed |