Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.55 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.54 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.54 |
| ▸ | MPO | P05164 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | KDM5A | P29375 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4412023 | 0.85 | ALDH1A1 (0.68) | CA1CA2ALDH1A1MAPTMAPK1 | |
| SCHEMBL18068446 | 0.82 | CA1 (0.66) | CA1CA2ALDH1A1MAPTMAPK1 | |
| SCHEMBL16193119 | 0.82 | CA1 (0.66) | CA1CA2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL22192690 | 0.82 | KMT2A (0.72) | ALDH1A1MAPTALOX15SMN1; SMN2MAPK1 | |
| SCHEMBL339492 | 0.82 | ALOX15 (0.81) | ALDH1A1MAPTALOX15SMN1; SMN2MAPK1 | |
| SCHEMBL749684 | 0.82 | MAOB (0.57) | ALDH1A1MAPTALOX15SMN1; SMN2EPHX2 | |
| SCHEMBL1532777 | 0.81 | PARP10 (0.65) | CA1CA2ALDH1A1MAPTALOX15 | |
| SCHEMBL7282886 | 0.80 | ITGB3 (0.65) | ITGB3ITGA2B | |
| SCHEMBL29051537 | 0.80 | ALOX15 (0.65) | ALDH1A1MAPTALOX15SMN1; SMN2MEN1 | |
| SCHEMBL341847 | 0.80 | ALOX15 (0.65) | ALDH1A1MAPTALOX15SMN1; SMN2MEN1 |
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-5094849-A | Antitumor | ELI LILLY AND COMPANY (US) | 1992-03-10 | — | — | US | disclosed |
| US-5006652-A | Intermediates for antibody-vinca drug conjugates | ELI LILLY AND COMPANY (US) | 1991-04-09 | — | — | US | disclosed |
| EP-0354728-A2 | Cytotoxic drug conjugates | ELI LILLY AND COMPANY (US) | 1990-02-14 | — | — | EP | disclosed |