Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9395374 | 0.78 | HSPA5 (0.54) | HTR1AHSPA5IDO1TSHRCYP2D6 | |
| SCHEMBL1387588 | 0.77 | HTR1A (0.42) | HTR1AHSPA5IDO1TSHRCYP2D6 | |
| SCHEMBL1387545 | 0.77 | HTR1A (0.41) | HTR1AHSPA5IDO1TSHRCYP2D6 | |
| SCHEMBL1387553 | 0.76 | HTR1A (0.41) | HTR1AHSPA5IDO1TSHRMEN1 | |
| SCHEMBL1387562 | 0.76 | HTR1A (0.49) | HTR1AHSPA5IDO1TSHRMEN1 | |
| SCHEMBL20175942 | 0.75 | TSHR (0.59) | HTR1AHSPA5TSHRCYP2D6MEN1 | |
| SCHEMBL15283002 | 0.74 | HSPA5 (0.59) | HTR1AHSPA5IDO1TSHRCYP2D6 | |
| SCHEMBL23790052 | 0.74 | MAPT (0.49) | HTR1AHSPA5IDO1TSHRCYP2D6 | |
| SCHEMBL13051280 | 0.74 | TSHR (0.58) | HTR1AHSPA5IDO1TSHRCYP2D6 | |
| SCHEMBL31408706 | 0.74 | HTR1A (0.49) | HTR1AHSPA5TSHRCYP2D6HIF1A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-H09507473-A | — | — | 1997-07-29 | — | — | JP | claimed |
| EP-0734374-A1 | N,N'-BIS(2-HYDROXYBENZYL)ETHYLENEDIAMINE-N,N'-DIACETIC ACID DERIVATIVES AS CHELATING AGENTS | Novartis AG (CH) | 1996-10-02 | — | — | EP | claimed |
| WO-1995016663-A1 | N,N'-BIS(2-HYDROXYBENZYL)ETHYLENEDIAMINE-N,N'-DIACETIC ACID DERIVATIVES AS CHELATING AGENTS | CIBA-GEIGY AG (CH) | 1995-06-22 | — | — | WO | claimed |
| EP-0734374-A1 | N,N'-BIS(2-HYDROXYBENZYL)ETHYLENEDIAMINE-N,N'-DIACETIC ACID DERIVATIVES AS CHELATING AGENTS | Novartis AG (CH) | 1996-10-02 | — | — | EP | disclosed |
| WO-1995016663-A1 | N,N'-BIS(2-HYDROXYBENZYL)ETHYLENEDIAMINE-N,N'-DIACETIC ACID DERIVATIVES AS CHELATING AGENTS | CIBA-GEIGY AG (CH) | 1995-06-22 | — | — | WO | disclosed |