Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | HTR1B | P28222 | 9/20 | 0.52 |
| ▸ | HTR1A | P08908 | 8/20 | 0.52 |
| ▸ | HTR1D | P28221 | 8/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL12483695 | 1.00 | NR5A1 (0.58) | NR5A1TSHRHTR1BHTR1AHTR1D | |
| SCHEMBL9011532 | 0.98 | NR5A1 (0.55) | NR5A1TSHRHTR1BHTR1AHTR1D | |
| SCHEMBL29285266 | 0.94 | LTA4H (0.56) | NR5A1TSHRHTR1BHTR1AHTR1D | |
| SCHEMBL28050705 | 0.93 | NR5A1 (0.51) | NR5A1TSHRHTR1BHTR1AHTR1D | |
| SCHEMBL31006075 | 0.93 | NR5A1 (0.51) | NR5A1TSHRHTR1BHTR1AHTR1D | |
| SCHEMBL28825823 | 0.93 | NR5A1 (0.51) | NR5A1TSHRHTR1BHTR1AHTR1D | |
| SCHEMBL9011613 | 0.91 | NR5A1 (0.49) | NR5A1TSHRHTR1BHTR1AHTR1D | |
| SCHEMBL12627591 | 0.91 | NR5A1 (0.53) | NR5A1TSHRHTR1BHTR1AHTR1D | |
| SCHEMBL12627609 | 0.88 | LTA4H (0.50) | NR5A1TSHRHTR1BHTR1AHTR1D | |
| SCHEMBL12259989 | 0.87 | NR5A1 (0.53) | NR5A1TSHRHTR1BHTR1AHTR1D |
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-2012115369-A2 | TRIPHENYLENE-BASED REACTIVE MESOGEN CONTAINING ACETYLENE | 한국화학연구원 (KR) | 2012-08-30 | — | — | WO | disclosed |