Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 2/20 | 0.48 |
| ▸ | CTSK | P43235 | 6/20 | 0.45 |
| ▸ | CTSL | P07711 | 2/20 | 0.45 |
| ▸ | CTSS | P25774 | 4/20 | 0.44 |
| ▸ | CTSB | P07858 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | PREP | P48147 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL7398976 | 0.78 | CTRB1 (0.60) | CTRB1CTSKCTSLCTSSCTSB | |
| SCHEMBL14069202 | 0.78 | CTRB1 (0.60) | CTRB1CTSKCTSLCTSSCTSB | |
| SCHEMBL7398974 | 0.78 | CTRB1 (0.60) | CTRB1CTSKCTSLCTSSCTSB | |
| SCHEMBL7361850 | 0.73 | CTRB1 (0.64) | CTRB1CTSKCTSLCTSSCTSB | |
| SCHEMBL7361852 | 0.73 | CTRB1 (0.64) | CTRB1CTSKCTSLCTSSCTSB | |
| SCHEMBL7569039 | 0.72 | CTRB1 (0.49) | CTRB1CTSKCTSLCTSSCTSB | |
| SCHEMBL7569030 | 0.72 | CTRB1 (0.49) | CTRB1CTSKCTSLCTSSCTSB | |
| SCHEMBL7569034 | 0.72 | CTRB1 (0.49) | CTRB1CTSKCTSLCTSSCTSB | |
| SCHEMBL4202065 | 0.72 | CTRB1 (0.62) | CTRB1CTSKCTSLCTSSCTSB | |
| SCHEMBL6588325 | 0.70 | CTRB1 (0.57) | CTRB1CTSKCTSLOPRK1PREP |
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-9828349-B2 | 1-aryl-1-hydroxy-2,3-diamino-propyl amines, 1-heteroaryl-1-hydroxy-2,3-diamino-propyl amines and related compounds having analgesic and/or immuno stimulant activity | EXONHIT THERAPEUTICS SA (FR) | 2017-11-28 | — | — | US | disclosed |