Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7159348 | 0.90 | HTT (0.33) | PDE2AKDM4EHTTALDH1A1NPSR1 | |
| SCHEMBL7163401 | 0.89 | ALDH1A1 (0.42) | KDM4EHTTPDE3BPDE3AALDH1A1 | |
| SCHEMBL7164355 | 0.88 | PDE3B (0.34) | KITKDM4EHTTPDE3BPDE3A | |
| SCHEMBL7159379 | 0.87 | PIK3CA (0.36) | PDE2AKDM4EHTTALDH1A1NPSR1 | |
| SCHEMBL7163517 | 0.85 | RPS6KB1 (0.40) | KITHTTALDH1A1NPSR1CYP3A4 | |
| SCHEMBL7159692 | 0.85 | KIT (0.40) | KITKDM4EHTTALDH1A1PKM | |
| SCHEMBL5207346 | 0.84 | HSP90AA1 (0.36) | PDE3BPDE3A | |
| SCHEMBL7160676 | 0.80 | MAPK1 (0.39) | KDM4EHTTPDE3BPDE3AALDH1A1 | |
| SCHEMBL7163194 | 0.78 | TP53 (0.34) | PDE2AKITPDE3BPDE3ATP53 | |
| SCHEMBL7159488 | 0.78 | PDE3B (0.35) | KITPDE3BPDE3ANPSR1 |
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-6583148-B1 | Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine | KRENITSKY PHARMACEUTICALS, INC. | 2003-06-24 | — | — | US | claimed |
| US-6583148-B1 | Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine | KRENITSKY PHARMACEUTICALS, INC. | 2003-06-24 | — | — | US | disclosed |