Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MPI | P34949 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 4/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8050696 | 0.80 | ALDH1A1 (0.38) | ALDH1A1GFERTSHR | |
| SCHEMBL8047366 | 0.78 | TAAR1 (0.40) | KDM4ENOTUMIDO1TAAR1APOBEC3G | |
| SCHEMBL8042855 | 0.78 | ALDH1A1 (0.45) | ALDH1A1KDM4EGAAMPINPC1 | |
| SCHEMBL4877279 | 0.76 | ALDH1A1 (0.38) | ALDH1A1KDM4EGAAGFERNOTUM | |
| SCHEMBL8041917 | 0.74 | CTSS (0.44) | KDM4ENOTUMNPC1TP53TSHR | |
| SCHEMBL8033685 | 0.71 | LMNA (0.48) | ALDH1A1GAANPC1TSHRRAB9A | |
| SCHEMBL8042985 | 0.70 | AHR (0.41) | ALDH1A1KDM4EGAANPC1TP53 | |
| SCHEMBL31222672 | 0.70 | ALOX5 (0.65) | ALDH1A1NOTUMNPC1TP53TSHR | |
| SCHEMBL817554 | 0.70 | ALOX5 (0.65) | ALDH1A1NOTUMNPC1TP53TSHR | |
| SCHEMBL27648776 | 0.69 | NOTUM (0.42) | ALDH1A1KDM4EGAAMPIGFER |
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 |