Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.68 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.65 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10938876 | 0.99 | KDM4E (0.67) | TSHRCYP2D6HIF1AKDM4EATM | |
| SCHEMBL17817490 | 0.85 | ALDH1A1 (0.51) | TSHRCYP2D6HIF1AKDM4EATM | |
| SCHEMBL4580390 | 0.81 | CYP2D6 (1.00) | TSHRCYP2D6HIF1AKDM4EATM | |
| Hydrochloric Acid SCHEMBL11279111 | 0.80 | CYP2D6 (0.97) | TSHRCYP2D6HIF1AKDM4EATM | |
| SCHEMBL25010831 | 0.79 | KDM4E (1.00) | TSHRCYP2D6HIF1AKDM4EATM | |
| SCHEMBL11537591 | 0.79 | KDM4E (1.00) | TSHRCYP2D6HIF1AKDM4EATM | |
| SCHEMBL25010832 | 0.79 | KDM4E (1.00) | TSHRCYP2D6HIF1AKDM4EATM | |
| SCHEMBL10942484 | 0.79 | TSHR (0.54) | TSHRCYP2D6HIF1AKDM4EATM | |
| SCHEMBL12535900 | 0.76 | TSHR (0.69) | TSHRCYP2D6HIF1AKDM4EATM | |
| SCHEMBL11538263 | 0.75 | TSHR (0.68) | TSHRCYP2D6HIF1AKDM4EATM |
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-0109623-B1 | PHENYL-PROPANOL AMINES, THEIR PREPARATION AND USE | BASF Aktiengesellschaft (DE) | 1985-10-09 | — | — | EP | disclosed |
| EP-0109623-A1 | Phenyl-propanol amines, their preparation and use | BASF Aktiengesellschaft (DE) | 1984-05-30 | — | — | EP | disclosed |