Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | PLG | P00747 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | KLK1 | P06870 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6680848 | 0.81 | NPC1 (0.58) | NPC1RAB9AADRA2AADRA2BADRA2C | |
| SCHEMBL3994952 | 0.73 | FLT3 (0.46) | NPC1RAB9AKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL8708792 | 0.72 | SMN1; SMN2 (0.52) | NPC1RAB9ACES2CES1KDM4E | |
| SCHEMBL7362770 | 0.69 | CES2 (0.41) | NPC1RAB9ACES2CES1KDM4E | |
| SCHEMBL11780378 | 0.69 | HPGDS (0.44) | NPC1RAB9AADRA2AADRA2BADRA2C | |
| SCHEMBL11783568 | 0.69 | HPGDS (0.58) | NPC1RAB9AKDM4EKMT2AMEN1 | |
| SCHEMBL10514214 | 0.69 | PTPN1 (0.50) | NPC1RAB9AADRA2AADRA2BADRA2C | |
| SCHEMBL8824598 | 0.68 | NPC1 (0.45) | NPC1RAB9AKDM4ESMN1; SMN2KMT2A | |
| Hydrochloric Acid SCHEMBL11445748 | 0.68 | PTPN1 (0.49) | NPC1RAB9AADRA2AADRA2BADRA2C | |
| SCHEMBL397225 | 0.67 | CES2 (0.60) | NPC1RAB9ACES2CES1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0444156-A4 | METHOD FOR TREATING VASCULAR DISEASES | — | 1992-12-09 | — | — | EP | claimed |
| EP-0444156-A1 | METHOD FOR TREATING VASCULAR DISEASES | ABBOTT LABORATORIES (US) | 1991-09-04 | — | — | EP | claimed |
| EP-0444156-A4 | METHOD FOR TREATING VASCULAR DISEASES | — | 1992-12-09 | — | — | EP | disclosed |
| EP-0444156-A1 | METHOD FOR TREATING VASCULAR DISEASES | ABBOTT LABORATORIES (US) | 1991-09-04 | — | — | EP | disclosed |