Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PNMT | P11086 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Propionaldehyde SCHEMBL27792856 | 0.86 | CHRM2 (0.44) | CHRM2CHRM1CHRM3POLBPNMT | |
| SCHEMBL27448963 | 0.84 | ALDH1A1 (0.39) | CHRM2CHRM1CHRM3POLBPNMT | |
| SCHEMBL31150381 | 0.81 | — | — | |
| SCHEMBL139812 | 0.81 | — | — | |
| SCHEMBL27448504 | 0.79 | PARP1 (0.40) | KMT2AALDH1A1TDP1TSHR | |
| Bromomethane SCHEMBL27541373 | 0.79 | ALDH1A1 (0.42) | PNMTALDH1A1TDP1TSHRCHRM5 | |
| Ammonia Solution, Strong SCHEMBL6118862 | 0.79 | — | — | |
| Propionaldehyde SCHEMBL28213252 | 0.78 | ACHE (0.42) | CHRM2CHRM1CHRM3POLBKMT2A | |
| Propionaldehyde SCHEMBL27860273 | 0.77 | MEN1 (0.45) | CHRM2CHRM1CHRM3POLBKMT2A | |
| Propionaldehyde SCHEMBL27828653 | 0.77 | APP (0.42) | CHRM2CHRM1CHRM3ALDH1A1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1136198-C | Novel benzyl pyrimidines | ��������ҩ�ɷ�����˾ | 2004-01-28 | — | — | CN | disclosed |
| CN-1134439-C | Pyrrolo [2,3D ] pyrimidines and their use as tyrosine kinase inhibitors | 艾博特股份有限两合公司 | 2004-01-14 | — | — | CN | disclosed |
| CN-1259950-A | Pyrrolo [2,3D] pyrimidines and their use as tyrosine kinase inhibitors | BASF AG (DE) | 2000-07-12 | — | — | CN | disclosed |
| CN-1166831-A | Novel benzyl pyrimidines | HOFFMANN LA ROCHE (CH) | 1997-12-03 | — | — | CN | disclosed |