Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.44 |
| ▸ | CTSS | P25774 | 4/20 | 0.44 |
| ▸ | CTSK | P43235 | 3/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | CTSB | P07858 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6710871 | 0.81 | NPC1 (0.47) | CA12CA1CTSSATMNPC1 | |
| SCHEMBL2809501 | 0.74 | CA12 (0.40) | AKT1CA12CA1CA7CA14 | |
| SCHEMBL5381278 | 0.73 | PPIA (0.49) | AKT1CA12CA1CA7CA14 | |
| SCHEMBL6685415 | 0.73 | CTSS (0.43) | CTSSCTSKNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL572740 | 0.72 | IDO1 (0.60) | CA12CA1CA7CA14SIGMAR1 | |
| SCHEMBL4974298 | 0.72 | IDO1 (0.48) | AKT1CA12CA1CA7CA14 | |
| SCHEMBL6393247 | 0.72 | IDO1 (0.48) | AKT1CA12CA1CA7CA14 | |
| SCHEMBL7427463 | 0.72 | NPC1 (0.43) | CA12CA1CA7CA14SIGMAR1 | |
| SCHEMBL19559839 | 0.71 | ADRB2 (0.52) | AKT1CA12CA1CA7CA14 | |
| SCHEMBL7269676 | 0.71 | ATM (0.54) | AKT1CTSSCTSKATMSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5849911-A | Antivirally active heterocyclic azahexane derivatives | NOVARTIS FINANCE CORPORATION (US) | 1998-12-15 | — | — | US | disclosed |