Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.54 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 2/20 | 0.41 |
| ▸ | GPR132 | Q9UNW8 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | CMKLR2 | P46091 | 1/20 | 0.41 |
| ▸ | CMKLR1 | Q99788 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL7357618 | 0.86 | CYP3A4 (0.64) | CYP3A4CTRB1CTSLCTSBGPR132 | |
| SCHEMBL7303011 | 0.85 | CYP3A4 (0.63) | CYP3A4CTRB1CTSLCTSBMEN1 | |
| SCHEMBL7305488 | 0.85 | CYP3A4 (0.63) | CYP3A4CTRB1CTSLCTSBMEN1 | |
| SCHEMBL7569915 | 0.85 | CYP3A4 (0.63) | CYP3A4CTRB1CTSLCTSBMEN1 | |
| SCHEMBL8668860 | 0.82 | ATM (0.49) | CTSLCTSB | |
| SCHEMBL7305834 | 0.81 | CYP3A4 (0.59) | CYP3A4CTSLCTSB | |
| SCHEMBL7311171 | 0.81 | CYP3A4 (0.59) | CYP3A4CTSLCTSB | |
| SCHEMBL7565435 | 0.81 | CYP3A4 (0.59) | CYP3A4CTSLCTSB | |
| SCHEMBL7312307 | 0.81 | CYP3A4 (0.58) | CYP3A4CTSLCTSBMEN1SLC22A2 | |
| SCHEMBL7344979 | 0.80 | CYP3A4 (0.57) | CYP3A4CTRB1CTSLCTSBMEN1 |
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-5763464-A | TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1998-06-09 | — | — | US | disclosed |
| WO-1997019061-A1 | RETROVIRAL AGENTS CONTAINING ANTHRANILAMIDE, SUBSTITUTED BENZAMIDE AND OTHER SUBUNITS, AND METHODS OF USING SAME | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1997-05-29 | — | — | WO | disclosed |