Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 4/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | IGF1R | P08069 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | GPR3 | P46089 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8458964 | 0.88 | SRD5A1 (0.49) | SRD5A1SRD5A2RAB9ANPC1GPR84 | |
| SCHEMBL2311686 | 0.87 | GPR84 (0.51) | SRD5A2RAB9ANPC1BCHEGPR84 | |
| SCHEMBL783558 | 0.84 | AKR1B1 (0.49) | BCHEHSP90AA1ACHEIGF1RALOX15 | |
| SCHEMBL16064651 | 0.81 | SRD5A1 (0.51) | SRD5A1SRD5A2RAB9ANPC1GPR84 | |
| SCHEMBL503763 | 0.80 | CYP1A2 (0.55) | SRD5A1SRD5A2RAB9ANPC1MITF | |
| SCHEMBL22369581 | 0.79 | GRIN2B (0.44) | BCHEACHEIGF1RALOX15CYP4F2 | |
| SCHEMBL3453711 | 0.78 | SRD5A1 (0.45) | SRD5A1SRD5A2RAB9ANPC1GPR84 | |
| SCHEMBL5684329 | 0.78 | SRD5A1 (0.45) | SRD5A1SRD5A2RAB9ANPC1GPR84 | |
| SCHEMBL11701595 | 0.76 | AKR1B1 (0.51) | SRD5A1SRD5A2CES1 | |
| SCHEMBL3531737 | 0.75 | GAA (0.45) | RAB9ANPC1BCHEGPR84ACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-5428065-A | Treating central nervous system disorders | LILLY INDUSTRIES LIMITED (GB) | 1995-06-27 | — | — | US | disclosed |
| EP-0645370-A1 | Substituted m-xylylene diamines for the treatment of diseases of the central nervous system | LILLY INDUSTRIES LIMITED (GB) | 1995-03-29 | — | — | EP | disclosed |