Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27887982 | 0.85 | CA1 (0.54) | ALDH1A1MAPT | |
| Methyl Isonicotinate SCHEMBL820082 | 0.83 | CYP1A2 (0.60) | CYP1A2CYP2C19LMNACYP2C9SMN1; SMN2 | |
| Methyl Isonicotinate SCHEMBL180574 | 0.83 | CYP1A2 (0.60) | CYP1A2CYP2C19LMNACYP2C9SMN1; SMN2 | |
| SCHEMBL647632 | 0.83 | HSD17B10 (0.64) | CYP1A2CYP2C19LMNACYP2C9SMN1; SMN2 | |
| Methyl Isonicotinate SCHEMBL9213497 | 0.81 | LMNA (0.58) | CYP1A2CYP2C19LMNACYP2C9SMN1; SMN2 | |
| Methyl Isonicotinate SCHEMBL29827431 | 0.81 | LMNA (0.58) | CYP1A2CYP2C19LMNACYP2C9SMN1; SMN2 | |
| Methyl Isonicotinate SCHEMBL9217491 | 0.81 | LMNA (0.58) | CYP1A2CYP2C19LMNACYP2C9SMN1; SMN2 | |
| SCHEMBL5015509 | 0.79 | TSHR (0.68) | LMNASMN1; SMN2HSD17B10TP53ALDH1A1 | |
| SCHEMBL6877560 | 0.79 | HSD17B10 (0.55) | CYP1A2CYP2C19LMNACYP2C9SMN1; SMN2 | |
| SCHEMBL19439269 | 0.78 | HSD17B10 (0.50) | CYP1A2CYP2C19LMNACYP2C9SMN1; SMN2 |
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-3645516-A1 | HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS | Janssen Pharmaceutica NV (BE) | 2020-05-06 | — | — | EP | disclosed |
| WO-2019001420-A1 | HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS | JANSSEN PHARMACEUTICA NV (BE) | 2019-01-03 | — | — | WO | disclosed |