Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7481950 | 0.82 | ALDH1A1 (0.38) | PSIP1ALDH1A1SMN1; SMN2NPC1LMNA | |
| SCHEMBL7487578 | 0.81 | HDAC1 (0.48) | HDAC1HDAC6PSIP1NPC1RAB9A | |
| SCHEMBL7482230 | 0.80 | HDAC1 (0.47) | HDAC1HDAC6ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL7486763 | 0.77 | NSD2 (0.39) | HDAC1HDAC6HSD11B1P2RX7PTGS2 | |
| SCHEMBL7480824 | 0.77 | TDP1 (0.35) | PSIP1ALDH1A1SMN1; SMN2NPC1LMNA | |
| SCHEMBL7482618 | 0.76 | PSIP1 (0.41) | PSIP1ALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5207841 | 0.73 | HDAC1 (0.58) | HDAC1HDAC6P2RX7PTGDR2PTGS2 | |
| SCHEMBL10304515 | 0.69 | HDAC1 (0.48) | HDAC1HDAC6ALDH1A1SMN1; SMN2P2RX7 | |
| SCHEMBL3859058 | 0.66 | HDAC1 (0.45) | HDAC1HDAC6ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL28118890 | 0.64 | ESR1 (0.48) | ALDH1A1SMN1; SMN2NPC1LMNARAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1214322-A2 | AMINO-TRIAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-19 | — | — | EP | disclosed |
| US-6355653-B1 | DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS | HOFFMANN-LA ROCHE INC. | 2002-03-12 | — | — | US | disclosed |
| WO-2001017999-A2 | AMINO-TRIAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-03-15 | — | — | WO | disclosed |