Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SLC18A3 | Q16572 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL3386950 | 0.84 | RAB9A (0.45) | NPC1RAB9ASLC18A3MAPK1ALDH1A1 | |
| SCHEMBL9186494 | 0.73 | DRD2 (0.55) | MTNR1AMTNR1BCYP1A2 | |
| SCHEMBL7328237 | 0.73 | DRD2 (0.65) | NPC1RAB9ASLC18A3ALDH1A1MEN1 | |
| SCHEMBL7336034 | 0.72 | DRD2 (0.57) | NPC1RAB9ASLC18A3ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL7329618 | 0.72 | DRD2 (0.64) | NPC1RAB9ASLC18A3ALDH1A1MEN1 | |
| SCHEMBL7330393 | 0.72 | DRD2 (0.64) | — | |
| SCHEMBL9759545 | 0.72 | HTR1A (0.64) | ALDH1A1LMNATSHRCYP1A2 | |
| SCHEMBL12355697 | 0.71 | FYN (0.50) | NPC1RAB9AFYNMAOAMTNR1A | |
| SCHEMBL8672558 | 0.71 | TRPV1 (0.56) | NPC1RAB9ASLC18A3ALDH1A1TRPV1 | |
| SCHEMBL30385365 | 0.71 | TRPV1 (0.56) | NPC1RAB9ASLC18A3ALDH1A1TRPV1 |
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-7989451-B2 | Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-08-02 | — | — | US | disclosed |