Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 5/20 | 0.59 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.59 |
| ▸ | BCR | P11274 | 5/20 | 0.59 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.56 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.56 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.56 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.56 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.56 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3607576 | 0.83 | NPC1 (0.64) | ABL1ABCB1BCRNPC1RAB9A | |
| SCHEMBL30610970 | 0.81 | ALDH1A3 (0.58) | ABL1ABCB1BCRCYP1A1CYP1B1 | |
| SCHEMBL24314980 | 0.81 | ALDH1A3 (0.58) | ABL1ABCB1BCRCYP1A1CYP1B1 | |
| SCHEMBL2958179 | 0.80 | RXRA (0.68) | ABL1ABCB1BCRHSD17B1HSD17B2 | |
| SCHEMBL2944704 | 0.80 | BCL2L1 (0.48) | NPC1RAB9A | |
| SCHEMBL19423241 | 0.80 | BCL2L1 (0.48) | NPC1RAB9A | |
| SCHEMBL21589900 | 0.79 | ABL1 (0.50) | ABL1ABCB1BCRCYP1A1CYP1B1 | |
| SCHEMBL10049229 | 0.79 | ABL1 (0.61) | ABL1ABCB1BCRCYP1A1CYP1B1 | |
| SCHEMBL2274524 | 0.78 | ABL1 (0.79) | ABL1ABCB1BCRCYP1A1CYP1B1 | |
| SCHEMBL21586168 | 0.78 | ABL1 (0.48) | ABL1ABCB1BCRCYP1A1CYP1B1 |
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-2019005841-A1 | THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2019-01-03 | — | — | WO | disclosed |