Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.51 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1082231 | 0.89 | TSHR (0.53) | NPC1RAB9ATSHRTP53PDCD1 | |
| SCHEMBL10366921 | 0.86 | TSHR (0.50) | NPC1RAB9ATSHRTP53PDCD1 | |
| SCHEMBL1072622 | 0.84 | TSHR (0.49) | NPC1RAB9ATSHRTP53PDCD1 | |
| Ethylene Glycol SCHEMBL16487425 | 0.83 | CYP1A1 (0.48) | NPC1RAB9ATSHRTP53PDCD1 | |
| SCHEMBL28702128 | 0.83 | TSHR (0.47) | NPC1RAB9ATSHRTP53PDCD1 | |
| SCHEMBL5409637 | 0.81 | TSHR (0.53) | NPC1RAB9ATSHRTP53PDCD1 | |
| SCHEMBL5409642 | 0.81 | TSHR (0.53) | NPC1RAB9ATSHRTP53PDCD1 | |
| SCHEMBL5422299 | 0.81 | TSHR (0.53) | NPC1RAB9ATSHRTP53PDCD1 | |
| SCHEMBL5409634 | 0.81 | TSHR (0.53) | NPC1RAB9ATSHRTP53PDCD1 | |
| SCHEMBL5422294 | 0.81 | TSHR (0.53) | NPC1RAB9ATSHRTP53PDCD1 |
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-6083987-A | 4-AMINO DERIVATIVE SUBSTITUTED PHENYLDIALKYLAMINE, USEFUL AS LIPID PEROXIDATION INHIBITOR | SHISEIDO CO., LTD. (JP) | 2000-07-04 | — | — | US | disclosed |