Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL299362 | 0.88 | ALDH1A1 (0.52) | ALDH1A1HPGDCYP1A2MAPTKDM4E | |
| SCHEMBL10821063 | 0.85 | ALDH1A1 (0.50) | ALDH1A1HPGDCYP1A2MAPTKDM4E | |
| SCHEMBL6266650 | 0.84 | ALDH1A1 (0.49) | ALDH1A1HPGDCYP1A2MAPTKDM4E | |
| SCHEMBL882389 | 0.84 | ALDH1A1 (0.72) | ALDH1A1HPGDCYP1A2MAPTKDM4E | |
| SCHEMBL2362831 | 0.78 | ALDH1A1 (0.49) | ALDH1A1HPGDCYP1A2MAPTKDM4E | |
| SCHEMBL288785 | 0.76 | ALDH1A1 (0.59) | ALDH1A1HPGDCYP1A2MAPTKDM4E | |
| SCHEMBL622325 | 0.76 | ALDH1A1 (0.51) | ALDH1A1HPGDCYP1A2MAPTKDM4E | |
| SCHEMBL874267 | 0.76 | ALDH1A1 (0.39) | ALDH1A1HPGDKDM4E | |
| SCHEMBL882714 | 0.76 | MAPT (0.57) | ALDH1A1HPGDMAPTKDM4EKMT2A | |
| SCHEMBL2309900 | 0.75 | ALDH1A1 (0.51) | ALDH1A1HPGDCYP1A2MAPTKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012038905-A1 | THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |
| WO-2012038904-A1 | NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |