Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HMGCR | P04035 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | CPT2 | P23786 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4998501 | 0.77 | CYP2D6 (0.39) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL9709625 | 0.77 | — | — | |
| SCHEMBL29084381 | 0.76 | TSHR (0.35) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL1173130 | 0.76 | TSHR (0.35) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL13276122 | 0.74 | TDP1 (0.33) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL9279731 | 0.72 | ALDH1A1 (0.33) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL28885649 | 0.72 | FFAR3 (0.35) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL8583429 | 0.71 | CYP2D6 (0.34) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL6562033 | 0.70 | TSHR (0.36) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL18798914 | 0.69 | ALDH1A1 (0.46) | TSHRCYP2D6CYP2C19HIF1AALDH1A1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5405987-A | N-hydroxyaspartic acid derivatives; chemical intermediates | HOECHST CELANESE CORPORATION (US) | 1995-04-11 | — | — | US | claimed |
| US-5322948-A | Reacting unsaturated diacid or derivative with hydroxylamine or a salt thereof to form N-hydroxy-2-aminobutane diacid derivative | HOECHST CELANESE CORPORATION (US) | 1994-06-21 | — | — | US | claimed |
| EP-0511446-A2 | Process for preparing pyridinecarboxylic acid derivatives | HOECHST CELANESE CORPORATION (US) | 1992-11-04 | — | — | EP | claimed |
| EP-0452094-A2 | A method of the preparation of N-hydroxy aspartic acid derivate | HOECHST CELANESE CORPORATION (US) | 1991-10-16 | — | — | EP | claimed |
| EP-0415767-A2 | Process for preparing pyridine carboxylic acid derivatives | HOECHST CELANESE CORPORATION (US) | 1991-03-06 | — | — | EP | claimed |
| US-5808067-A | Process for preparing pyridine and quinoline derivatives | HOECHST CELANESE CORPORATION (US) | 1998-09-15 | — | — | US | disclosed |
| US-5405987-A | N-hydroxyaspartic acid derivatives; chemical intermediates | HOECHST CELANESE CORPORATION (US) | 1995-04-11 | — | — | US | disclosed |
| US-5322948-A | Reacting unsaturated diacid or derivative with hydroxylamine or a salt thereof to form N-hydroxy-2-aminobutane diacid derivative | HOECHST CELANESE CORPORATION (US) | 1994-06-21 | — | — | US | disclosed |
| EP-0564083-A1 | Conversion of pyridine-2,3-dicarboxylic acid esters to their cyclic anhydrides | HOECHST CELANESE CORPORATION (US) | 1993-10-06 | — | — | EP | disclosed |
| US-5208342-A | Hydrolysis and dehydration | HOECHST CELANESE CORPORATION (US) | 1993-05-04 | — | — | US | disclosed |
| EP-0511446-A2 | Process for preparing pyridinecarboxylic acid derivatives | HOECHST CELANESE CORPORATION (US) | 1992-11-04 | — | — | EP | disclosed |
| EP-0452094-A2 | A method of the preparation of N-hydroxy aspartic acid derivate | HOECHST CELANESE CORPORATION (US) | 1991-10-16 | — | — | EP | disclosed |
| EP-0415767-A2 | Process for preparing pyridine carboxylic acid derivatives | HOECHST CELANESE CORPORATION (US) | 1991-03-06 | — | — | EP | disclosed |