Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.70 |
| ▸ | RAB9A | P51151 | 12/20 | 0.70 |
| ▸ | MEN1 | O00255 | 10/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 10/20 | 0.70 |
| ▸ | MAPT | P10636 | 7/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.70 |
| ▸ | HTT | P42858 | 4/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.70 |
| ▸ | GAA | P10253 | 2/20 | 0.70 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.63 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.63 |
| ▸ | RELA | Q04206 | 3/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | HPGD | P15428 | 2/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.63 |
| ▸ | MPI | P34949 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.63 |
| ▸ | SCD | O00767 | 6/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL10807219 | 0.92 | NPC1 (0.74) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL23357 | 0.86 | RAB9A (0.84) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL10810325 | 0.82 | NPC1 (0.72) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL11724051 | 0.80 | RAB9A (0.74) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL30557433 | 0.79 | MAPT (0.81) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL3822948 | 0.79 | MAPT (0.81) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL22881 | 0.78 | DYRK1A (0.73) | KMT2AMAPTSCDDYRK1A | |
| SCHEMBL4909989 | 0.77 | RAB9A (0.78) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL31065 | 0.77 | SCD (1.00) | NPC1RAB9AMEN1KMT2AMAPT | |
| Frentizole SCHEMBL599582 | 0.77 | RAB9A (1.00) | NPC1RAB9AMEN1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2609089-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012025638-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2012-03-01 | — | — | WO | disclosed |