Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R | Q15722 | 2/20 | 0.43 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | ALPI | P09923 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL5323029 | 0.80 | PSMB5 (0.53) | LTB4RLTB4R2IDO1TDO2PSMB5 | |
| SCHEMBL7703389 | 0.75 | MTNR1A (0.56) | IDO1TDO2KIF11EDNRAALPI | |
| SCHEMBL7413569 | 0.75 | LTB4R (0.41) | LTB4RLTB4R2NPC1LMNATP53 | |
| SCHEMBL7698344 | 0.74 | IDO1 (0.40) | IDO1TDO2ALDH1A1GAAKIF11 | |
| Lithium Ion SCHEMBL7703568 | 0.70 | SLC6A9 (0.43) | LTB4RLTB4R2NPC1LMNATP53 | |
| Hydrochloric Acid SCHEMBL8578572 | 0.68 | SIGMAR1 (0.45) | LTB4RLTB4R2TP53 | |
| SCHEMBL3421120 | 0.68 | ESR1 (0.44) | LTB4RLTB4R2LMNA | |
| SCHEMBL19452860 | 0.66 | CYP19A1 (0.44) | LTB4RLTB4R2NPC1LMNATP53 | |
| SCHEMBL19450719 | 0.66 | CYP19A1 (0.44) | LTB4RLTB4R2NPC1LMNATP53 | |
| SCHEMBL2256055 | 0.64 | IDO1 (0.59) | IDO1TDO2KIF11ALPIPKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1100769-B1 | AMINOMETHYLCARBOXYLIC ACID DERIVATIVES | AKZO NOBEL NV (NL) | 2002-12-04 | — | — | EP | disclosed |
| US-6410592-B1 | THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS | AKZO NOBEL N.V. (NL) | 2002-06-25 | — | — | US | disclosed |
| EP-1100769-A1 | AMINOMETHYLCARBOXYLIC ACID DERIVATIVES | Akzo Nobel N.V. (NL) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000007978-A1 | AMINOMETHYLCARBOXYLIC ACID DERIVATIVES | AKZO NOBEL N.V. (NL) | 2000-02-17 | — | — | WO | disclosed |