Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 1/20 | 0.36 |
| ▸ | GRK2 | P25098 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12092546 | 0.86 | NOTUM (0.44) | NOTUMS1PR1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL12088680 | 0.81 | TDP1 (0.42) | NOTUMS1PR1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL31434746 | 0.74 | NOTUM (0.49) | NOTUMS1PR1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL31123893 | 0.74 | NOTUM (0.47) | NOTUMS1PR1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL31124025 | 0.74 | NOTUM (0.71) | NOTUMS1PR1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL20031353 | 0.71 | NOTUM (0.62) | NOTUMRAB9ASMN1; SMN2L3MBTL1TDP1 | |
| SCHEMBL11786351 | 0.68 | CYP1A2 (0.51) | S1PR1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL733206 | 0.67 | CHRNB2 (0.62) | SMN1; SMN2CHRNB2CHRNA4CYP1A2CYP3A4 | |
| SCHEMBL9564351 | 0.67 | HCN1 (0.40) | NOTUMS1PR1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL31123952 | 0.67 | NOTUM (0.41) | NOTUMS1PR1RAB9ASMN1; SMN2L3MBTL1 |
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-2011025774-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-03-03 | — | — | WO | disclosed |