Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | THRB | P10828 | 2/20 | 0.53 |
| ▸ | CASP1 | P29466 | 2/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | PRKCI | P41743 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 3/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL34055 | 0.85 | PRKCI (0.59) | CA1CA2CYP3A4TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL1986970 | 0.83 | ACHE (0.60) | CA1CA2CYP3A4TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL2480499 | 0.83 | ACHE (0.60) | CA1CA2CYP3A4TSHRALDH1A1 | |
| SCHEMBL11682542 | 0.78 | PRKCI (0.49) | CA1CA2CYP3A4TSHRALDH1A1 | |
| SCHEMBL33731 | 0.77 | — | — | |
| SCHEMBL29437149 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL10882631 | 0.74 | CYP3A4 (0.71) | CA1CA2CYP3A4TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL28886798 | 0.74 | CYP3A4 (0.71) | CA1CA2CYP3A4TSHRALDH1A1 | |
| SCHEMBL14907879 | 0.73 | CYP3A4 (0.54) | CA1CA2CYP3A4TSHRALDH1A1 | |
| SCHEMBL14085077 | 0.73 | CYP3A4 (0.54) | CA1CA2CYP3A4TSHRALDH1A1 |
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-2019671-A2 | BIVALENT SMAC MIMETICS AND THE USES THEREOF | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2009-02-04 | — | — | EP | disclosed |
| WO-2007130626-A2 | BIVALENT SMAC MIMETICS AND THE USES THEREOF | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2007-11-15 | — | — | WO | disclosed |