Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 11/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | HTT | P42858 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8044826 | 0.89 | PDK1 (0.53) | PDK1CA2CA12CA1CA9 | |
| SCHEMBL8050208 | 0.88 | PDK1 (0.52) | PDK1CA2CA12CA1CA9 | |
| SCHEMBL8042611 | 0.85 | PDK1 (0.53) | PDK1CA2CA12CA1CA9 | |
| SCHEMBL8043163 | 0.84 | PDK1 (0.52) | PDK1CA2CA12CA1CA9 | |
| SCHEMBL8042977 | 0.83 | PDK1 (0.51) | PDK1CA2CA12CA1CA9 | |
| SCHEMBL8045879 | 0.83 | ALDH1A1 (0.60) | PDK1CA2CA12CA1CA9 | |
| SCHEMBL8047942 | 0.82 | PKM (0.40) | MAPTALDH1A1HTTSMN1; SMN2MEN1 | |
| SCHEMBL8046550 | 0.81 | ALDH1A1 (0.40) | MAPTALDH1A1HTTSMN1; SMN2MEN1 | |
| SCHEMBL8050478 | 0.80 | PDK1 (0.60) | PDK1CA2CA12CA1CA9 | |
| SCHEMBL8044849 | 0.80 | ALDH1A1 (0.49) | PDK1MAPTALDH1A1HTTSMN1; SMN2 |
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 |