Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15064090 | 0.83 | NPC1 (0.51) | RAB9ANPC1KMT2ACES2CES1 | |
| SCHEMBL12546521 | 0.83 | L3MBTL1 (0.41) | RAB9ANPC1KMT2ACES2CES1 | |
| SCHEMBL1946731 | 0.83 | L3MBTL1 (0.41) | RAB9ANPC1KMT2ACES2CES1 | |
| SCHEMBL13649162 | 0.80 | LMNA (0.53) | KEAP1LMNASMN1; SMN2POLB | |
| SCHEMBL13655772 | 0.80 | LMNA (0.53) | KEAP1LMNASMN1; SMN2POLB | |
| SCHEMBL4440609 | 0.78 | NPC1 (0.57) | RAB9ANPC1KMT2ACES2CES1 | |
| SCHEMBL165478 | 0.78 | SLC6A2 (0.49) | RAB9ANPC1KMT2AHTR1ACYP2C19 | |
| SCHEMBL98019 | 0.78 | SLC6A2 (0.49) | RAB9ANPC1KMT2AHTR1ACYP2C19 | |
| SCHEMBL1201347 | 0.78 | SLC6A2 (0.49) | RAB9ANPC1KMT2AHTR1ACYP2C19 | |
| SCHEMBL6499256 | 0.78 | NPC1 (0.48) | RAB9ANPC1KMT2ACES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20070116643-A1 | Novel aryloxypropanamines | CONCERT PHARMACEUTICALS INC. (US) | 2007-05-24 | — | — | US | disclosed |
| WO-2007005644-A2 | NOVEL ARYLOXYPROPANAMINES | CONCERT PHARMACEUTICALS INC. (US) | 2007-01-11 | — | — | WO | disclosed |