Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | GSR | P00390 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL9614594 | 1.00 | ALDH1A1 (0.50) | ALDH1A1ADRA2ASMN1; SMN2MEN1ABCB11 | |
| SCHEMBL504180 | 0.84 | ALDH1A1 (0.51) | ALDH1A1ADRA2ASMN1; SMN2MEN1ABCB11 | |
| SCHEMBL11142063 | 0.72 | ALDH1A1 (0.35) | ALDH1A1ADRA2ASMN1; SMN2MEN1ABCB11 | |
| Semustine SCHEMBL8980108 | 0.72 | ALDH1A1 (0.79) | ALDH1A1ADRA2ASMN1; SMN2MEN1ABCB11 | |
| SCHEMBL3711995 | 0.70 | ALDH1A1 (0.35) | ALDH1A1ADRA2ASMN1; SMN2EPHX1 | |
| SCHEMBL3711997 | 0.70 | ALDH1A1 (0.35) | ALDH1A1ADRA2ASMN1; SMN2EPHX1 | |
| SCHEMBL6467646 | 0.68 | EPHX1 (0.42) | ALDH1A1ADRA2ASMN1; SMN2TSHRKMT2A | |
| Semustine SCHEMBL4959160 | 0.67 | ALDH1A1 (1.00) | ALDH1A1ADRA2ASMN1; SMN2MEN1ABCB11 | |
| SCHEMBL19617520 | 0.67 | ALDH1A1 (0.50) | ALDH1A1ADRA2ASMN1; SMN2MEN1ABCB11 | |
| Semustine SCHEMBL4500 | 0.67 | ALDH1A1 (1.00) | ALDH1A1ADRA2ASMN1; SMN2MEN1ABCB11 |
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-0478631-A1 | TARGETTING AGENTS. | CANCER RES CAMPAIGN TECH (GB) | 1992-04-08 | — | — | EP | disclosed |
| WO-1991000111-A1 | TARGETTING AGENTS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1991-01-10 | — | — | WO | disclosed |