Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 8/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | GBA1 | P04062 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 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 | |
|---|---|---|---|---|
| SCHEMBL4591411 | 1.00 | KCNA5 (0.49) | KCNA5ALDH1A1CA12CA7CA9 | |
| SCHEMBL476790 | 0.93 | ALDH1A1 (0.51) | KCNA5ALDH1A1CA12CA7CA9 | |
| SCHEMBL1144412 | 0.93 | ALDH1A1 (0.51) | KCNA5ALDH1A1CA12CA7CA9 | |
| SCHEMBL167043 | 0.93 | ALDH1A1 (0.51) | KCNA5ALDH1A1CA12CA7CA9 | |
| Hydrochloric Acid SCHEMBL476789 | 0.92 | ALDH1A1 (0.50) | KCNA5ALDH1A1CA12CA7CA9 | |
| Hydrochloric Acid SCHEMBL6373800 | 0.92 | ALDH1A1 (0.50) | KCNA5ALDH1A1CA12CA7CA9 | |
| Hydrochloric Acid SCHEMBL2203097 | 0.92 | ALDH1A1 (0.50) | KCNA5ALDH1A1CA12CA7CA9 | |
| SCHEMBL1144053 | 0.86 | ALDH1A1 (0.46) | ALDH1A1CA12CA9GBA1KMT2A | |
| Tartaric Acid SCHEMBL29904324 | 0.86 | ALDH1A1 (0.46) | KCNA5ALDH1A1KMT2ACYP3A4CYP1A2 | |
| SCHEMBL5846637 | 0.85 | KMT2A (0.49) | ALDH1A1GBA1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7893296-B2 | Method for producing an optically active β-amino acid | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-02-22 | — | — | US | disclosed |
| US-20040023344-A1 | Method for producing an optically activ beta-amino acid | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2004-02-05 | — | — | US | disclosed |