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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 8/20 | 0.59 |
| ▸ | MMP3 | P08254 | 6/20 | 0.58 |
| ▸ | MMP1 | P03956 | 1/20 | 0.58 |
| ▸ | MMP9 | P14780 | 1/20 | 0.58 |
| ▸ | MMP13 | P45452 | 1/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.48 |
| ▸ | HRH2 | P25021 | 4/20 | 0.48 |
| ▸ | HRH1 | P35367 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5096555 | 0.88 | MMP2 (0.67) | MMP2MMP3MMP1MMP9MMP13 | |
| SCHEMBL410754 | 0.85 | MMP2 (0.61) | MMP2MMP3MMP1MMP9MMP13 | |
| SCHEMBL7590338 | 0.82 | MMP2 (0.63) | MMP2MMP3MMP1MMP9MMP13 | |
| SCHEMBL7991607 | 0.81 | MMP2 (0.55) | MMP2MMP3MMP1MMP9MMP13 | |
| SCHEMBL25123467 | 0.81 | MMP2 (0.58) | MMP2MMP3MMP1MMP9MMP13 | |
| SCHEMBL9786700 | 0.80 | MMP3 (0.61) | MMP2MMP3MMP1MMP9MMP13 | |
| SCHEMBL25270396 | 0.79 | HDAC1 (0.56) | MMP2MMP3MMP1MMP9MMP13 | |
| SCHEMBL25228734 | 0.79 | HDAC1 (0.56) | MMP2MMP3MMP1MMP9MMP13 | |
| SCHEMBL25275009 | 0.79 | HDAC1 (0.56) | MMP2MMP3MMP1MMP9MMP13 | |
| SCHEMBL29266654 | 0.79 | HDAC1 (0.59) | MMP2MMP3MMP1MMP9MMP13 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6288261-B1 | DRUGS FOR INHIBITION OF ENZYMES | ABBOTT LABORATORIES | 2001-09-11 | — | — | US | disclosed |