Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 | P00742 | 5/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.41 |
| ▸ | CCKBR | P32239 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CGAS | Q8N884 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5260638 | 0.85 | CTSK (0.50) | — | |
| SCHEMBL5260262 | 0.83 | F10 (0.59) | F10ALOX15F2 | |
| SCHEMBL6834302 | 0.83 | DRD4 (0.56) | F10DRD4MLLT1CCKBRCGAS | |
| SCHEMBL5255542 | 0.82 | KMT2A (0.55) | ALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL6838957 | 0.82 | DRD4 (0.36) | F10DRD4MLLT1HPGDSMN1; SMN2 | |
| SCHEMBL5255596 | 0.82 | DRD4 (0.36) | F10DRD4MLLT1HPGDSMN1; SMN2 | |
| SCHEMBL5256019 | 0.81 | CCKBR (0.57) | MLLT1CCKBRHPGDCGASSMN1; SMN2 | |
| SCHEMBL27558367 | 0.81 | CCKBR (0.57) | MLLT1CCKBRHPGDCGASSMN1; SMN2 | |
| SCHEMBL6832689 | 0.81 | CTSK (0.38) | F10DRD4NPC1RAB9AKMT2A | |
| SCHEMBL3613390 | 0.77 | MLLT1 (0.46) | MLLT1HPGDSMN1; 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-1453801-B1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| US-6747053-B2 | Heteroaryl nitriles | ROCHE PALO ALTO LLC | 2004-06-08 | — | — | US | disclosed |