Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.36 |
| ▸ | SELE | P16581 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8993128 | 0.90 | DHFR (0.46) | DHFRTACR1CNR1CNR2NPC1 | |
| SCHEMBL8992916 | 0.81 | DHFR (0.46) | DHFRTACR1CNR1CNR2NPC1 | |
| SCHEMBL8992825 | 0.78 | TACR1 (0.37) | TACR1NPC1RAB9AICAM1SELE | |
| SCHEMBL8993256 | 0.78 | KDM4C (0.41) | DHFRTACR1ICAM1SELECREBBP | |
| SCHEMBL27287536 | 0.78 | TACR1 (0.43) | DHFRTACR1NPC1RAB9AHTR6 | |
| SCHEMBL93016 | 0.77 | SMN1; SMN2 (0.47) | NPC1RAB9AICAM1SELEMAOB | |
| SCHEMBL18410186 | 0.76 | NPC1 (0.40) | NPC1RAB9AICAM1SELEPTPN1 | |
| SCHEMBL8632096 | 0.76 | ALDH1A1 (0.50) | DHFRTACR1NPC1RAB9AMAOB | |
| SCHEMBL18410184 | 0.74 | ICAM1 (0.40) | NPC1RAB9AICAM1SELEPTPN1 | |
| SCHEMBL18106027 | 0.74 | KDM4C (0.42) | DHFRTACR1NPC1RAB9AHTR6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |