Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 6/20 | 0.50 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | TNKS2 | Q9H2K2 | 4/20 | 0.46 |
| ▸ | TNKS | O95271 | 3/20 | 0.46 |
| ▸ | GUSB | P08236 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL7673395 | 0.88 | AURKA (0.54) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL7668672 | 0.85 | GAA (0.46) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL7673043 | 0.77 | KDM4E (0.64) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL38652457 | 0.77 | KDM4E (0.64) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL2242715 | 0.70 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL6056819 | 0.70 | MGAM (0.68) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL28150094 | 0.69 | NPC1 (0.97) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL29056720 | 0.69 | PARP1 (0.62) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL15775404 | 0.68 | TNKS (0.64) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL15775351 | 0.68 | TNKS (0.64) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 |
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-6479499-B1 | INHIBITORS OF TUBULIN POLYMERIZATION | NATIONAL SCIENCE COUNCIL (TW) | 2002-11-12 | — | — | US | disclosed |