Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.36 |
| ▸ | CSNK1E | P49674 | 2/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7418872 | 0.89 | NPC1 (0.42) | NTRK1NPC1TP53RAB9ACSNK1D | |
| SCHEMBL7958240 | 0.86 | IKBKE (0.41) | NTRK1NPC1RAB9AKDM4EMAPT | |
| SCHEMBL7964322 | 0.85 | NTRK1 (0.43) | NTRK1NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL7418952 | 0.82 | RAB9A (0.44) | NTRK1NPC1RAB9A | |
| SCHEMBL7420930 | 0.82 | NTRK1 (0.39) | NTRK1NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL7960418 | 0.81 | NTRK1 (0.37) | NTRK1NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL7949796 | 0.81 | RAB9A (0.44) | NAMPTNPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL7411535 | 0.81 | SMN1; SMN2 (0.55) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL7420377 | 0.81 | EPHB3 (0.44) | NTRK1NPC1RAB9AKDM4EMAPT | |
| SCHEMBL7964531 | 0.81 | CSNK1D (0.40) | CSNK1DCSNK1EPOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-5639760-A | USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE | MARYANOFF BRUCE E (US) | 1997-06-17 | — | — | US | claimed |
| US-5639760-A | USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE | MARYANOFF BRUCE E (US) | 1997-06-17 | — | — | US | disclosed |