Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.41 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
| ▸ | FNTB | P49356 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31230608 | 0.87 | CYP1A1 (0.40) | CYP1A2CYP1A1CYP1B1CNR2P2RX1 | |
| SCHEMBL22993088 | 0.86 | CNR1 (0.42) | CYP1A2CYP1A1CYP1B1CNR2P2RX1 | |
| SCHEMBL26547948 | 0.86 | CA12 (0.46) | CYP1A2CYP1A1CYP1B1P2RX1P2RX3 | |
| SCHEMBL26548388 | 0.86 | CA12 (0.46) | CYP1A2CYP1A1CYP1B1P2RX1P2RX3 | |
| SCHEMBL26548881 | 0.85 | CA12 (0.45) | CYP1A2CYP1A1CYP1B1P2RX1P2RX3 | |
| SCHEMBL26548570 | 0.85 | CA12 (0.45) | CYP1A2CYP1A1CYP1B1P2RX1P2RX3 | |
| SCHEMBL13268400 | 0.85 | CNR1 (0.39) | CYP1A2CYP1A1CYP1B1CNR2P2RX1 | |
| SCHEMBL28224945 | 0.83 | KIF11 (0.52) | CNR2CA12CA1CA2CA9 | |
| SCHEMBL29805137 | 0.81 | CYP11B1 (0.40) | CYP1A2CYP1A1CYP1B1CNR2P2RX1 | |
| SCHEMBL31139510 | 0.80 | CES1 (0.50) | CYP1A2CYP1A1CYP1B1CNR2HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1242399-A1 | $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB S.A. (BE) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001046167-A1 | α-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB, S.A. (BE) | 2001-06-28 | — | — | WO | disclosed |