Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | MAPT | P10636 | 4/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | MAOB | P27338 | 5/20 | 0.60 |
| ▸ | MAOA | P21397 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.53 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.50 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14893940 | 0.86 | MAOB (0.63) | ALDH1A1MAPTHTTMAOBMAOA | |
| SCHEMBL1691639 | 0.86 | CPS1 (0.56) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16318836 | 0.83 | ALDH1A1 (0.55) | ALDH1A1MAPTHTTMAOBMAOA | |
| SCHEMBL3201438 | 0.77 | ALDH1A1 (1.00) | ALDH1A1MAPTHTTMAOBNPC1 | |
| SCHEMBL29930887 | 0.76 | CTSD (0.56) | ALDH1A1MAPTHTTMAOBNPC1 | |
| SCHEMBL15742990 | 0.76 | CTSD (0.56) | ALDH1A1MAPTHTTMAOBNPC1 | |
| SCHEMBL7765941 | 0.76 | SMPD1 (0.56) | ALDH1A1MAPTHTTMAOBMAOA | |
| SCHEMBL3505966 | 0.76 | MAOB (0.63) | MAPTMAOBMAOALMNAPARP10 | |
| SCHEMBL3504952 | 0.76 | MAOB (0.62) | MAOBMAOAPARP10PARP14PARP15 | |
| SCHEMBL3504950 | 0.76 | MAOB (0.62) | MAOBMAOAPARP10PARP14PARP15 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013062835-A1 | SUBSTITUTED PIPERIDINYL COMPOUNDS USEFUL AS GPR119 AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2013-05-02 | — | — | WO | disclosed |
| WO-2013062835-A1 | SUBSTITUTED PIPERIDINYL COMPOUNDS USEFUL AS GPR119 AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2013-05-02 | — | — | WO | disclosed |