Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19535211 | 0.74 | DRD2 (0.48) | RAB9ANPC1HDAC8HDAC3HDAC4 | |
| SCHEMBL12396045 | 0.73 | RET (0.39) | HDAC8HDAC1HDAC6CCNKCDK12 | |
| SCHEMBL12022152 | 0.70 | CYP19A1 (0.62) | RAB9ANPC1HDAC8HDAC3HDAC4 | |
| SCHEMBL19830216 | 0.70 | — | — | |
| SCHEMBL12395842 | 0.70 | ALOX5 (0.43) | RAB9ANPC1HDAC8HDAC3HDAC4 | |
| Bromide SCHEMBL1883296 | 0.69 | CYP19A1 (0.60) | RAB9ANPC1HDAC8HDAC3HDAC4 | |
| SCHEMBL18625976 | 0.69 | HDAC3 (0.43) | RAB9ANPC1HDAC8HDAC3HDAC4 | |
| SCHEMBL19723347 | 0.68 | ALOX5 (0.60) | RAB9ASMN1; SMN2NPC1LMNAHDAC8 | |
| SCHEMBL17697510 | 0.68 | CYP19A1 (0.58) | RAB9ANPC1HDAC8HDAC3HDAC4 | |
| SCHEMBL19535088 | 0.67 | HDAC3 (0.60) | RAB9ASMN1; SMN2NPC1MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2699570-B1 | 1,4-DISUBSTITUTED 1,2,3-TRIAZOLES, THEIR PREPARATION PROCESSES AND THEIR DIAGNOSTIC AND THERAPEUTIC USES | CENTRE NAT RECH SCIENT (FR) | 2018-08-22 | — | — | EP | disclosed |