Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | LIPE | Q05469 | 5/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL16251376 | 0.90 | LIPE (0.50) | NPC1RAB9ALIPEPOLBLMNA | |
| SCHEMBL16251377 | 0.88 | TRPV1 (0.51) | LIPEMAPTPOLBLMNAMEN1 | |
| SCHEMBL20854519 | 0.87 | OPRM1 (0.46) | NPC1RAB9AATMLIPEMAPT | |
| SCHEMBL20854502 | 0.85 | ALDH1A1 (0.44) | NPC1RAB9AATMLIPEMAPT | |
| SCHEMBL20854507 | 0.85 | ESR2 (0.44) | NPC1RAB9AATMLIPEMAPT | |
| SCHEMBL16249223 | 0.85 | NAMPT (0.47) | NPC1RAB9AATMLIPEMAPT | |
| SCHEMBL16238854 | 0.85 | ESR1 (0.44) | NPC1RAB9AATMLIPEMAPT | |
| SCHEMBL14907137 | 0.85 | LIPE (0.55) | NPC1RAB9ALIPEMAPTOPRM1 | |
| SCHEMBL14890641 | 0.84 | LIPE (0.62) | NPC1RAB9ALIPEMAPTHTT | |
| SCHEMBL20854497 | 0.84 | GAA (0.46) | NPC1LIPEMAPTPOLBLMNA |
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-8889713-B1 | N-substituted tetrahydroisoquinoline benzamides/benzene sulfonamides as anti-cancer agents | FLORIDA A&M UNIVERSITY (US) | 2014-11-18 | — | — | US | disclosed |
| US-8889713-B1 | N-substituted tetrahydroisoquinoline benzamides/benzene sulfonamides as anti-cancer agents | FLORIDA A&M UNIVERSITY (US) | 2014-11-18 | — | — | US | disclosed |