Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 6/20 | 0.36 |
| ▸ | LOXL3 | P58215 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8044491 | 0.81 | LMNA (0.48) | ALDH1A1POLBLOXL2NPC1RAB9A | |
| SCHEMBL8050078 | 0.81 | KDM4E (0.40) | ALDH1A1POLBPKMKDM4ENPC1 | |
| SCHEMBL8043963 | 0.80 | ATM (0.42) | ALDH1A1POLBKDM4ENPC1RAB9A | |
| SCHEMBL8043593 | 0.77 | ICAM1 (0.37) | ALDH1A1PKMNPC1RAB9AMEN1 | |
| SCHEMBL8051724 | 0.76 | MAPK8 (0.54) | ALDH1A1POLBPKMNPC1RAB9A | |
| SCHEMBL8050254 | 0.76 | HDAC6 (0.45) | HDAC6CA1CA2CA4CA5A | |
| SCHEMBL8044559 | 0.76 | HDAC6 (0.54) | HDAC6THRBALDH1A1PKMNPC1 | |
| SCHEMBL8043817 | 0.74 | MAPK8 (0.37) | CA1CA2CA4CA5ACA5B | |
| SCHEMBL8043833 | 0.74 | MAPK8 (0.34) | ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8050241 | 0.74 | CA1 (0.35) | CA1CA2CA4CA5ACA5B |
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 |
|---|---|---|---|---|---|---|---|
| US-6080772-A | 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY | SUGEN, INC. (US) | 2000-06-27 | — | — | US | disclosed |