Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TACR3 | P29371 | 1/20 | 0.36 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | STAT1 | P42224 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18364985 | 1.00 | CNR2 (0.38) | CNR2SMN1; SMN2TRPA1TP53TACR3 | |
| SCHEMBL17039242 | 1.00 | CNR2 (0.38) | CNR2SMN1; SMN2TRPA1TP53TACR3 | |
| SCHEMBL17029055 | 0.91 | CYP3A4 (0.36) | SMN1; SMN2TRPA1TP53 | |
| SCHEMBL17029026 | 0.86 | SMN1; SMN2 (0.39) | CNR2SMN1; SMN2TRPA1TP53TACR3 | |
| SCHEMBL17029024 | 0.86 | SMN1; SMN2 (0.39) | CNR2SMN1; SMN2TRPA1TP53TACR3 | |
| SCHEMBL17029036 | 0.79 | SMN1; SMN2 (0.39) | CNR2SMN1; SMN2TP53F2RL3NPC1 | |
| SCHEMBL17039251 | 0.79 | P2RX3 (0.36) | — | |
| SCHEMBL17029066 | 0.79 | P2RX3 (0.36) | — | |
| SCHEMBL17029065 | 0.79 | P2RX3 (0.36) | — | |
| SCHEMBL17029010 | 0.78 | NPC1 (0.41) | CNR2SMN1; SMN2TP53F2RL3NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3107913-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV HEALTHCARE UK NO 5 LTD (GB) | 2018-07-04 | — | — | EP | disclosed |