Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.53 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 3/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CMA1 | P23946 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL27514736 | 0.90 | NPC1 (0.57) | NPC1RAB9ATDP1MTNR1AMTNR1B | |
| SCHEMBL18635836 | 0.86 | HDAC1 (0.68) | NPC1RAB9ATDP1ALDH1A1HDAC3 | |
| Ethylene SCHEMBL8992917 | 0.85 | MTNR1A (0.46) | NPC1RAB9ATDP1MTNR1AMTNR1B | |
| SCHEMBL14191204 | 0.84 | LTA4H (0.70) | MTNR1AMTNR1BALDH1A1LTA4HCHRM2 | |
| SCHEMBL2099512 | 0.84 | CHRM2 (0.66) | LTA4HCHRM2CHRM1CHRM3CMA1 | |
| SCHEMBL8024555 | 0.83 | NPC1 (0.66) | NPC1RAB9ATDP1MTNR1AMTNR1B | |
| SCHEMBL6687219 | 0.83 | MAOB (0.66) | NPC1RAB9ATDP1TP53MEN1 | |
| SCHEMBL2092574 | 0.82 | LTA4H (0.67) | MTNR1AMTNR1BLTA4HCHRM2CHRM1 | |
| SCHEMBL9607336 | 0.82 | ALDH1A1 (0.79) | NPC1RAB9ATDP1ALDH1A1CYP2A6 | |
| SCHEMBL31739258 | 0.82 | LTA4H (0.67) | MTNR1AMTNR1BLTA4HCHRM2CHRM1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012069856-A1 | ANTIMALARIAL COMPOUNDS | LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) | 2012-05-31 | — | — | WO | disclosed |
| US-5516777-A | PROSTATE CANCER THERAPY | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-05-14 | — | — | US | disclosed |
| US-5409928-A | Prostate diseases, alopecia | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-04-25 | — | — | US | disclosed |
| EP-0594149-A2 | Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-04-27 | — | — | EP | disclosed |