Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 2/20 | 0.31 |
| ▸ | CA5A | P35218 | 2/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL356545 | 0.82 | CA3 (0.41) | ALDH1A1MEN1KMT2AUSP2MAPT | |
| Trifluoroacetic Acid SCHEMBL1832229 | 0.78 | ALDH1A1 (0.36) | ALDH1A1MEN1KMT2APOLBSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL11509703 | 0.78 | ALDH1A1 (0.36) | ALDH1A1MEN1KMT2APOLBSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL11404300 | 0.78 | ALDH1A1 (0.36) | ALDH1A1MEN1KMT2APOLBSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL11412719 | 0.76 | ACLY (0.32) | ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL8529050 | 0.75 | FUCA1 (0.47) | MEN1KMT2AFUCA1 | |
| SCHEMBL2783999 | 0.74 | — | — | |
| Trifluoroacetic Acid SCHEMBL31384187 | 0.73 | GPR84 (0.46) | ALDH1A1MEN1KMT2APOLBSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL27874762 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL2385698 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010066051-A1 | THIOL-NOTA DERIVATIVES FOR KIT 68GA RADIOLABELING | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2010-06-17 | — | — | WO | disclosed |