Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of Aspartic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | CASR | P41180 | 2/20 | 0.48 |
| ▸ | ALPI | P09923 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | XIAP | P98170 | 1/20 | 0.46 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.46 |
| ▸ | KYNU | Q16719 | 2/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 5/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 5/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 5/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.44 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.42 |
| ▸ | LARS1 | Q9P2J5 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Aspartic Acid SCHEMBL538084 | 1.00 | TSHR (0.55) | TSHRSMN1; SMN2CASRALPIPKM | |
| Aspartic Acid SCHEMBL28088617 | 0.92 | TSHR (0.47) | TSHRSMN1; SMN2CASRALPIPKM | |
| Aspartic Acid SCHEMBL9386444 | 0.90 | TSHR (0.44) | TSHRSMN1; SMN2CASRALPIPKM | |
| SCHEMBL4660559 | 0.87 | TSHR (0.52) | TSHRSMN1; SMN2CASRALPIPKM | |
| Aspartic Acid SCHEMBL10590016 | 0.85 | KDM4E (0.47) | SMN1; SMN2CASRSLC1A3SLC1A2SLC1A1 | |
| Aspartic Acid SCHEMBL10590014 | 0.85 | KDM4E (0.47) | SMN1; SMN2CASRSLC1A3SLC1A2SLC1A1 | |
| D-Glutamate SCHEMBL28273054 | 0.83 | GRM8 (0.58) | TSHRSMN1; SMN2CASRALPIPKM | |
| Leucine SCHEMBL11803673 | 0.83 | LARS1 (0.60) | TSHRSMN1; SMN2CASRALPIPKM | |
| Leucine SCHEMBL11024352 | 0.83 | LARS1 (0.60) | TSHRSMN1; SMN2CASRALPIPKM | |
| Aspartic Acid SCHEMBL8932898 | 0.83 | CYP2D6 (0.45) | ALPIPKMPTGS1XIAPSLC7A5 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117794902-A | Novel pharmaceutically acceptable salts and polymorphic forms of ErbB and BTK inhibitors | 迪哲(江苏)医药股份有限公司 | 2024-03-29 | — | — | CN | disclosed |
| EP-3242869-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND PAIN | Cellixbio Private Limited (IN) | 2017-11-15 | — | — | EP | disclosed |
| WO-2016110865-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION AND PAIN | CELLIX BIO PRIVATE LIMITED (IN) | 2016-07-14 | — | — | WO | disclosed |
| EP-2414366-A1 | SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE | Novartis AG (CH) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010112520-A1 | SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE | NOVARTIS AG (CH) | 2010-10-07 | — | — | WO | disclosed |
| EP-1608626-A1 | MIGRASTATIN ANALOG COMPOSITIONS AND USES THEREOF | CORNELL RESEARCH FOUNDATION, INC. (US) | 2005-12-28 | — | — | EP | disclosed |
| WO-2004087672-A1 | MIGRASTATIN ANALOG COMPOSITIONS AND USES THEREOF | CORNELL RESEARCH FOUNDATION, INC. (US) | 2004-10-14 | — | — | WO | disclosed |
| EP-0649431-B1 | 17-AMINO SUBSTITUTED 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS | MERCK & CO INC (US) | 1999-08-11 | — | — | EP | disclosed |
| US-5710275-A | ENZYME AND HORMONE INHIBITORS | MERCK & CO., INC. (US) | 1998-01-20 | — | — | US | disclosed |
| US-5693809-A | PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER | MERCK & CO., INC. (US) | 1997-12-02 | — | — | US | disclosed |
| US-5639741-A | STEROIDS TREATING SKIN DISORDERS | MERCK & CO., INC. (US) | 1997-06-17 | — | — | US | disclosed |
| EP-0778284-A2 | New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors | MERCK & CO. INC. (US) | 1997-06-11 | — | — | EP | disclosed |
| EP-0649431-A4 | 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. | — | 1995-05-03 | — | — | EP | disclosed |
| EP-0649431-A1 | 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS | MERCK & CO. INC. (US) | 1995-04-26 | — | — | EP | disclosed |
| EP-0572166-A1 | New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors | MERCK & CO. INC. (US) | 1993-12-01 | — | — | EP | disclosed |
| WO-1993023038-A1 | 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | disclosed |
| WO-1993023039-A1 | SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | disclosed |
| WO-1993023420-A1 | NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | disclosed |