Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13195062 | 0.88 | CYP1A2 (0.46) | SMPD1MAPTSMN1; SMN2KDM4ENPC1 | |
| SCHEMBL23472412 | 0.74 | MCHR1 (0.48) | CYP1A2CYP2D6L3MBTL1TLR8TLR7 | |
| SCHEMBL23472208 | 0.74 | KDM4E (0.49) | MAPTSMN1; SMN2KDM4ENPC1ALDH1A1 | |
| SCHEMBL23472527 | 0.73 | TLR8 (0.58) | CYP1A2CYP2D6TLR8TLR7 | |
| SCHEMBL23472525 | 0.73 | CYP1A2 (0.44) | CYP1A2CYP2D6TLR8TLR7 | |
| SCHEMBL13195146 | 0.69 | RAB9A (0.52) | MAPTSMN1; SMN2KDM4ENPC1HPGD | |
| SCHEMBL23472693 | 0.69 | TLR8 (0.46) | CYP1A2CYP2D6KDRL3MBTL1TLR8 | |
| SCHEMBL23472233 | 0.69 | CYP1A2 (0.46) | CYP1A2CYP2D6L3MBTL1TLR8TLR7 | |
| SCHEMBL13195753 | 0.68 | TLR8 (0.45) | CYP1A2CYP2D6L3MBTL1TLR8TLR7 | |
| SCHEMBL13195730 | 0.68 | CYP1A2 (0.59) | CYP1A2CYP2D6L3MBTL1TLR8TLR7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3590928-B1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) | 2021-06-09 | — | — | EP | disclosed |