Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | F13A1 | P00488 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.46 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.46 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.46 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10110930 | 0.98 | F13A1 (0.56) | TSHRF13A1NPSR1KMT2AMEN1 | |
| SCHEMBL1006607 | 0.95 | TSHR (0.58) | TSHRF13A1NPSR1KMT2AMEN1 | |
| SCHEMBL3670598 | 0.87 | NPSR1 (0.68) | TSHRNPSR1KMT2AMEN1TAAR1 | |
| SCHEMBL29636581 | 0.87 | NPSR1 (0.68) | TSHRNPSR1KMT2AMEN1TAAR1 | |
| SCHEMBL6207355 | 0.86 | F13A1 (0.53) | TSHRF13A1NPSR1KMT2AMEN1 | |
| SCHEMBL28516930 | 0.85 | F13A1 (0.56) | TSHRF13A1PTGER1PTGER4PTGER3 | |
| SCHEMBL12718754 | 0.85 | TAAR1 (0.53) | TSHRF13A1NPSR1KMT2AMEN1 | |
| SCHEMBL3925297 | 0.85 | F13A1 (0.56) | TSHRF13A1NPSR1KMT2AMEN1 | |
| SCHEMBL11286813 | 0.85 | F13A1 (0.56) | TSHRF13A1NPSR1KMT2AMEN1 | |
| SCHEMBL10289772 | 0.83 | F13A1 (0.50) | TSHRF13A1KMT2AMEN1PTGER1 |
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-1503997-A1 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-02-09 | — | — | EP | disclosed |
| WO-2003097617-A1 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2003-11-27 | — | — | WO | disclosed |