Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7490899 | 0.82 | HDAC1 (0.45) | ALDH1A1LMNASMN1; SMN2NPC1USP2 | |
| SCHEMBL7487226 | 0.77 | PTGS2 (0.40) | ALDH1A1SMN1; SMN2L3MBTL1CA12CA9 | |
| SCHEMBL7487578 | 0.77 | HDAC1 (0.48) | HTTNPC1TP53POLBRAB9A | |
| SCHEMBL7482230 | 0.76 | HDAC1 (0.47) | ALDH1A1KDM4ELMNAHTTSMN1; SMN2 | |
| SCHEMBL7486763 | 0.73 | NSD2 (0.39) | HSD11B1 | |
| SCHEMBL7480824 | 0.73 | TDP1 (0.35) | ALDH1A1LMNASMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL7482618 | 0.71 | PSIP1 (0.41) | ALDH1A1SMN1; SMN2NPC1TSHRPOLB | |
| SCHEMBL30030214 | 0.65 | ALDH1A1 (0.49) | ALDH1A1KDM4ELMNAHTTSMN1; SMN2 | |
| SCHEMBL15381491 | 0.65 | ALDH1A1 (0.49) | ALDH1A1KDM4ELMNAHTTSMN1; SMN2 | |
| Dipyridyl SCHEMBL28775778 | 0.63 | CA9 (0.64) | ALDH1A1KDM4ELMNAHTTSMN1; 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 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 |