Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11090649 | 0.75 | MAP3K5 (0.33) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1 | |
| SCHEMBL11084126 | 0.75 | CYP1A2 (0.34) | ALDH1A1CYP1A2TSHRCYP2C9CYP2C19 | |
| SCHEMBL11084986 | 0.75 | ALDH1A1 (0.46) | ALDH1A1CYP1A2TSHRCYP2C9CYP2C19 | |
| SCHEMBL11084988 | 0.75 | ALDH1A1 (0.46) | ALDH1A1CYP1A2TSHRCYP2C9CYP2C19 | |
| SCHEMBL11086999 | 0.74 | CHEK1 (0.38) | ALDH1A1CYP1A2HPGDHIF1ASMN1; SMN2 | |
| SCHEMBL12946456 | 0.73 | RAB9A (0.44) | ALDH1A1CYP1A2CYP2C19HPGDSMN1; SMN2 | |
| SCHEMBL12747498 | 0.72 | KAT2B (0.35) | CYP1A2CYP2C9SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL15160572 | 0.71 | ALOX15 (0.52) | ALDH1A1CYP1A2TSHRHSD17B10ALOX15 | |
| SCHEMBL11088686 | 0.70 | ADORA2A (0.38) | ALDH1A1MAPK1HPGDHSD17B10CASP1 | |
| SCHEMBL11088861 | 0.70 | NNMT (0.38) | — |
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-4482557-A | 3-Substituted-2-oxo-tetrahydro-pyrrol[1,2-a]pyrimidines having digitalis-like activity | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) | 1984-11-13 | — | — | US | disclosed |
| US-4367229-A | 3-Substituted-tetrahydro-pyrrolo[1,2-a]pyrimidines and pharmaceutical compositions | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) | 1983-01-04 | — | — | US | disclosed |