Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.60 |
| ▸ | HPGD | P15428 | 6/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | CISD2 | Q8N5K1 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HK1 | P19367 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21616114 | 0.84 | ALDH1A1 (0.64) | ALDH1A1HPGDTSHRKDM4EGAA | |
| SCHEMBL8054380 | 0.82 | ALDH1A1 (0.65) | ALDH1A1HPGDKDM4EGAAPOLB | |
| SCHEMBL2807303 | 0.81 | ALDH1A1 (0.60) | ALDH1A1HPGDTSHRKDM4EGAA | |
| SCHEMBL3493148 | 0.80 | ALDH1A1 (0.56) | ALDH1A1HPGDTSHRKDM4EGAA | |
| SCHEMBL6030770 | 0.80 | ALDH1A1 (0.42) | ALDH1A1HPGDTSHRPOLBHSD17B10 | |
| SCHEMBL6031493 | 0.80 | ALDH1A1 (0.42) | ALDH1A1HPGDTSHRPOLBHSD17B10 | |
| SCHEMBL6031046 | 0.80 | ALDH1A1 (0.42) | ALDH1A1HPGDTSHRPOLBHSD17B10 | |
| SCHEMBL6029900 | 0.80 | ALDH1A1 (0.42) | ALDH1A1HPGDTSHRPOLBHSD17B10 | |
| SCHEMBL8054398 | 0.76 | GRM6 (0.59) | ALDH1A1HPGDTSHRKDM4EGAA | |
| SCHEMBL8289563 | 0.74 | ALDH1A1 (0.84) | ALDH1A1HPGDTSHRKDM4EGAA |
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-6037340-A | HAVE BIOLOGICAL ACTIVITY INCLUDING ANTI-CANCER ACTIVITY | CADUS PHARMACEUTICAL CORPORATION (US) | 2000-03-14 | — | — | US | disclosed |