Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.60 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.48 |
| ▸ | CTSL | P07711 | 3/20 | 0.46 |
| ▸ | CTSB | P07858 | 3/20 | 0.46 |
| ▸ | GPR132 | Q9UNW8 | 3/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CMKLR2 | P46091 | 1/20 | 0.42 |
| ▸ | CMKLR1 | Q99788 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8853637 | 0.97 | CYP3A4 (0.63) | CYP3A4CTRB1CTSLCTSBGPR132 | |
| SCHEMBL7309108 | 0.97 | CYP3A4 (0.63) | CYP3A4CTRB1CTSLCTSBGPR132 | |
| SCHEMBL4683833 | 0.97 | CYP3A4 (0.63) | CYP3A4CTRB1CTSLCTSBGPR132 | |
| SCHEMBL9004942 | 0.89 | CYP3A4 (0.55) | CYP3A4CTRB1CTSLCTSBNAMPT | |
| SCHEMBL8138746 | 0.88 | CTRB1 (0.52) | CYP3A4CTRB1CTSLCTSB | |
| SCHEMBL7302504 | 0.88 | CTRB1 (0.52) | CYP3A4CTRB1CTSLCTSB | |
| SCHEMBL7357618 | 0.88 | CYP3A4 (0.64) | CYP3A4CTRB1CTSLCTSBGPR132 | |
| SCHEMBL9005012 | 0.87 | CYP3A4 (0.54) | CYP3A4 | |
| SCHEMBL7569915 | 0.87 | CYP3A4 (0.63) | CYP3A4CTRB1CTSLCTSBNAMPT | |
| SCHEMBL7305488 | 0.87 | CYP3A4 (0.63) | CYP3A4CTRB1CTSLCTSBNAMPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5541321-A | Process for the preparation of a substituted diaminoalcohol | ABBOTT LABORATORIES (US) | 1996-07-30 | — | — | US | disclosed |
| US-5541320-A | Process for the preparation of a substituted diaminoalcohol | ABBOT LABORATORIES (US) | 1996-07-30 | — | — | US | disclosed |
| US-5436339-A | Process for the preparation of a substituted diaminoalcohol | ABBOTT LABORATORIES (US) | 1995-07-25 | — | — | US | disclosed |