Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | MAOA | P21397 | 2/20 | 0.57 |
| ▸ | MAOB | P27338 | 2/20 | 0.57 |
| ▸ | RECQL | P46063 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | BCHE | P06276 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | ACHE | P22303 | 1/20 | 0.57 |
| ▸ | APEX1 | P27695 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | CASP1 | P29466 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.57 |
| ▸ | DHODH | Q02127 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11207382 | 0.83 | ALDH1A1 (0.52) | ALDH1A1MAOAMAOBRECQLTDP1 | |
| SCHEMBL11207400 | 0.83 | ALDH1A1 (0.52) | ALDH1A1MAOAMAOBRECQLTDP1 | |
| SCHEMBL11207122 | 0.79 | ALDH1A1 (0.48) | ALDH1A1MAOAMAOBRECQLTDP1 | |
| SCHEMBL11206389 | 0.79 | ALDH1A1 (0.48) | ALDH1A1MAOAMAOBRECQLTDP1 | |
| SCHEMBL12158699 | 0.79 | — | — | |
| SCHEMBL9780488 | 0.76 | ALDH1A1 (0.32) | ALDH1A1 | |
| Cyclohexene SCHEMBL3005 | 0.76 | — | — | |
| SCHEMBL9512110 | 0.76 | ALDH1A1 (0.32) | ALDH1A1 | |
| Cyclohexene SCHEMBL8167620 | 0.76 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL117656 | 0.76 | ALDH1A1 (0.32) | ALDH1A1 |
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-2364318-A1 | CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION | Bio-Rad Laboratories, Inc. (US) | 2011-09-14 | — | — | EP | disclosed |
| WO-2010065514-A1 | CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION | BIO-RAD LABORATORIES, INC. (US) | 2010-06-10 | — | — | WO | disclosed |