Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 2/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | GPR139 | Q6DWJ6 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | F3 | P13726 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8268811 | 0.94 | TAS1R3 (0.40) | CTSLNPC1RAB9AMEN1POLB | |
| Trifluoroacetic Acid SCHEMBL5794182 | 0.91 | CTSL (0.41) | CTSLRAB9AMEN1POLBKMT2A | |
| Trifluoroacetic Acid SCHEMBL5794600 | 0.90 | CTSL (0.41) | CTSLRAB9AMEN1KMT2ACTSS | |
| Trifluoroacetic Acid SCHEMBL5791905 | 0.88 | RAB9A (0.42) | TSHRNPC1RAB9AMEN1POLB | |
| Trifluoroacetic Acid SCHEMBL5791067 | 0.84 | CTSL (0.41) | CTSLCTSSCTSBCTSK | |
| Trifluoroacetic Acid SCHEMBL5794344 | 0.84 | CTSL (0.43) | CTSLCTSSCTSBCTSKSMN1; SMN2 | |
| SCHEMBL8268809 | 0.84 | CTSL (0.42) | CTSLNPC1RAB9AMEN1KMT2A | |
| SCHEMBL8269394 | 0.84 | CTSL (0.45) | CTSLNPC1RAB9AMEN1KMT2A | |
| SCHEMBL5791389 | 0.83 | CTSL (0.46) | TSHRCTSLMEN1POLBKMT2A | |
| SCHEMBL5791966 | 0.83 | CTSK (0.45) | CTSLNPC1RAB9AMEN1POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006027211-A1 | 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-03-16 | — | — | WO | claimed |
| WO-2006027211-A1 | 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-03-16 | — | — | WO | disclosed |