Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HK1 | P19367 | 1/20 | 0.40 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11025151 | 0.79 | KDM4E (0.49) | HSD17B1RAB9ANPC1SMN1; SMN2TP53 | |
| SCHEMBL368725 | 0.79 | KDM4E (0.65) | HDAC1HDAC2HSD17B1RAB9ASMN1; SMN2 | |
| SCHEMBL3830634 | 0.79 | RAB9A (0.46) | HDAC1HDAC2HSD17B1RAB9ANPC1 | |
| SCHEMBL8047555 | 0.79 | KDM4E (0.65) | HSD17B1RAB9ANPC1SMN1; SMN2MEN1 | |
| SCHEMBL8042130 | 0.79 | HSD17B1 (0.46) | HDAC1HDAC2HSD17B1RAB9ANPC1 | |
| SCHEMBL8043317 | 0.79 | HSD17B1 (0.76) | HSD17B1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL2221168 | 0.79 | ALDH1A1 (0.47) | HDAC1HDAC2HSD17B1RAB9ANPC1 | |
| SCHEMBL8047389 | 0.77 | CA1 (0.49) | HDAC1HDAC2RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL969040 | 0.77 | ALDH1A1 (0.52) | HSD17B1RAB9ANPC1SMN1; SMN2MEN1 | |
| SCHEMBL8043701 | 0.75 | CYP2A6 (0.42) | SMN1; SMN2KDM4E |
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 |