Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.69 |
| ▸ | TSHR | P16473 | 3/20 | 0.69 |
| ▸ | GAA | P10253 | 2/20 | 0.69 |
| ▸ | HTT | P42858 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.63 |
| ▸ | LMNA | P02545 | 6/20 | 0.63 |
| ▸ | MAPT | P10636 | 9/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 7/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL3914008 | 0.89 | TSHR (0.86) | NPSR1TSHRGAAHTTALDH1A1 | |
| SCHEMBL6276309 | 0.83 | TSHR (0.71) | NPSR1TSHRGAAHTTALDH1A1 | |
| SCHEMBL34468579 | 0.83 | ALDH1A1 (0.70) | NPSR1TSHRGAAHTTALDH1A1 | |
| SCHEMBL8289576 | 0.81 | TSHR (0.73) | NPSR1TSHRGAAHTTALDH1A1 | |
| SCHEMBL34468529 | 0.79 | ALDH1A1 (0.97) | NPSR1TSHRGAAHTTALDH1A1 | |
| SCHEMBL6279253 | 0.79 | ALDH1A1 (0.67) | NPSR1TSHRGAAALDH1A1LMNA | |
| SCHEMBL3991156 | 0.78 | PDE4D (0.73) | NPSR1TSHRGAAHTTALDH1A1 | |
| SCHEMBL6279351 | 0.78 | ALDH1A1 (0.65) | NPSR1TSHRGAAALDH1A1LMNA | |
| SCHEMBL6438488 | 0.78 | TSHR (0.84) | NPSR1TSHRGAAHTTALDH1A1 | |
| SCHEMBL34468517 | 0.76 | TLR2 (0.67) | NPSR1TSHRGAAHTTALDH1A1 |
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-2005115147-A2 | HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2005-12-08 | — | — | WO | disclosed |