Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | TDP2 | O95551 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19662062 | 0.71 | TAAR1 (0.58) | TAAR1KEAP1ALDH1A1MEN1KMT2A | |
| SCHEMBL7101479 | 0.69 | TAAR1 (0.47) | TAAR1KEAP1TDP2ALDH1A1MEN1 | |
| SCHEMBL25634000 | 0.69 | AXL (0.40) | TAAR1KEAP1ALDH1A1MEN1KMT2A | |
| SCHEMBL1423819 | 0.69 | TAAR1 (0.47) | TAAR1KEAP1TDP2ALDH1A1MEN1 | |
| SCHEMBL394300 | 0.69 | TAAR1 (0.76) | TAAR1KEAP1ALDH1A1MEN1KMT2A | |
| SCHEMBL1478175 | 0.69 | TAAR1 (0.61) | TAAR1ALDH1A1MEN1KMT2ACYP3A4 | |
| SCHEMBL27844605 | 0.69 | AURKA (0.48) | ALDH1A1MEN1KMT2AKDM4ENPC1 | |
| SCHEMBL1479815 | 0.68 | KEAP1 (0.53) | TAAR1KEAP1ALDH1A1CYP3A4KDM4E | |
| SCHEMBL29498760 | 0.68 | KEAP1 (0.53) | TAAR1KEAP1ALDH1A1CYP3A4KDM4E | |
| SCHEMBL28153444 | 0.68 | AHR (0.52) | TAAR1KEAP1TDP2ALDH1A1CYP3A4 |
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-1363639-A1 | PYRROLO 2,3-d]PYRIMIDINE AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002055084-A1 | PYRROLO[2,3-d]PYRIMIDINE AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |