Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL16670166 | 1.00 | TAS1R3 (0.46) | TAS1R3TAS1R1HPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL16670168 | 1.00 | TAS1R3 (0.46) | TAS1R3TAS1R1HPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL16669877 | 0.90 | HPGD (0.47) | HPGDSMN1; SMN2ALDH1A1TSHRLMNA | |
| SCHEMBL4541806 | 0.81 | ALDH1A1 (0.39) | HPGDSMN1; SMN2ALDH1A1TSHRLMNA | |
| SCHEMBL4541810 | 0.81 | ALDH1A1 (0.39) | HPGDSMN1; SMN2ALDH1A1TSHRLMNA | |
| SCHEMBL16671524 | 0.79 | TAS1R3 (0.54) | TAS1R3TAS1R1HPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL18057249 | 0.78 | TAS1R3 (0.44) | TAS1R3TAS1R1HPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL16681962 | 0.78 | CTSK (0.51) | TAS1R3TAS1R1HPGDACERAB9A | |
| SCHEMBL16681992 | 0.78 | CTSK (0.51) | TAS1R3TAS1R1HPGDACERAB9A | |
| SCHEMBL29679451 | 0.75 | TRPM8 (0.62) | TAS1R3TAS1R1HPGDSMN1; SMN2ALDH1A1 |
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-3060554-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | Bristol-Myers Squibb Company (US) | 2016-08-31 | — | — | EP | disclosed |
| WO-2015061518-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-04-30 | — | — | WO | disclosed |