Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.31 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2635944 | 0.82 | ALDH1A1 (0.54) | ALDH1A1TSHRSMN1; SMN2LMNAAPOBEC3A | |
| Chloroform SCHEMBL8600888 | 0.82 | TDP1 (0.42) | ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2 | |
| SCHEMBL10517535 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TSHRSMN1; SMN2LMNAAPOBEC3A | |
| SCHEMBL4557324 | 0.76 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL28754039 | 0.75 | ALDH1A1 (0.69) | ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2 | |
| SCHEMBL64376 | 0.74 | — | — | |
| SCHEMBL31217853 | 0.74 | TSHR (0.47) | ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2 | |
| SCHEMBL7203652 | 0.74 | ALDH1A1 (0.45) | ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2 | |
| SCHEMBL11350416 | 0.74 | ALDH1A1 (0.45) | ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2 | |
| Phosphine SCHEMBL10881887 | 0.72 | — | — |
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-0842138-A1 | NOVEL PROCESS | ZENECA LIMITED (GB) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997003942-A1 | NOVEL PROCESS | ZENECA LIMITED (GB) | 1997-02-06 | — | — | WO | disclosed |