Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 6/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10187272 | 0.76 | TDP1 (0.48) | TRPA1RAB9ACYP1A2CYP2A6TP53 | |
| SCHEMBL14261346 | 0.76 | TSHR (0.48) | CYP1A2TP53TDP1LMNAHPGD | |
| SCHEMBL25559695 | 0.73 | TRPA1 (0.36) | TRPA1CYP1A2CYP2A6TP53TDP1 | |
| SCHEMBL14140533 | 0.73 | NFE2L2 (0.36) | TRPA1CYP1A2CYP2A6TP53TDP1 | |
| SCHEMBL11507014 | 0.72 | NPC1 (0.46) | GABRA1GABRG2GABRB3GABRB2RAB9A | |
| SCHEMBL2409646 | 0.71 | TDP1 (0.42) | TRPA1CYP1A2CYP2A6TP53TDP1 | |
| SCHEMBL156450 | 0.69 | — | — | |
| SCHEMBL29352576 | 0.69 | — | — | |
| SCHEMBL169725 | 0.69 | — | — | |
| SCHEMBL19760441 | 0.68 | MAPT (0.46) | RAB9ACYP1A2TP53TDP1HPGD |
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-2012033735-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |