Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 8/20 | 0.86 |
| ▸ | DRD3 | P35462 | 5/20 | 0.86 |
| ▸ | PRCP | P42785 | 2/20 | 0.56 |
| ▸ | DRD2 | P14416 | 7/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | CCR3 | P51677 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL1387864 | 0.93 | DRD4 (1.00) | DRD4DRD3PRCPDRD2CYP1A2 | |
| SCHEMBL1387666 | 0.87 | DRD4 (0.74) | DRD4DRD3PRCPDRD2CYP1A2 | |
| SCHEMBL1387619 | 0.79 | DRD4 (0.57) | DRD4DRD3DRD2CCR3 | |
| SCHEMBL14849618 | 0.71 | PRCP (1.00) | DRD4DRD3PRCPDRD2CYP1A2 | |
| SCHEMBL6366585 | 0.70 | PRCP (0.52) | DRD4DRD3PRCPDRD2CYP1A2 | |
| SCHEMBL6039802 | 0.69 | PRCP (0.57) | DRD4DRD3PRCPDRD2CYP1A2 | |
| SCHEMBL9374358 | 0.68 | SIGMAR1 (0.81) | DRD2CYP1A2CYP3A4TSHRMEN1 | |
| SCHEMBL24119093 | 0.68 | HRH3 (0.56) | DRD4DRD3ALDH1A1 | |
| SCHEMBL27542888 | 0.68 | SIGMAR1 (0.66) | CYP1A2CYP3A4TSHRMEN1KMT2A | |
| SCHEMBL1388774 | 0.68 | DRD4 (1.00) | DRD4DRD3PRCPDRD2CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5763448-A | Pyrmidine derivatives | MERCK, SHARP & DOHME LIMITED (GB) | 1998-06-09 | — | — | US | disclosed |
| EP-0698020-A1 | PYRIMIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1996-02-28 | — | — | EP | disclosed |
| WO-1994026733-A1 | PYRIMIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1994-11-24 | — | — | WO | disclosed |