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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 1/20 | 0.54 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | INSR | P06213 | 1/20 | 0.52 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6568492 | 0.90 | TGFBR1 (0.62) | TGFBR1ACVR1USP2LMNATHRB | |
| SCHEMBL5679807 | 0.86 | KDM4E (0.61) | TGFBR1ACVR1USP2LMNATHRB | |
| SCHEMBL5572636 | 0.83 | POLB (0.76) | LMNAPOLBKDM4EL3MBTL1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5572656 | 0.82 | POLB (0.74) | LMNAPOLBKDM4EL3MBTL1ALDH1A1 | |
| SCHEMBL4773743 | 0.78 | TGFBR1 (0.53) | TGFBR1ACVR1USP2LMNATHRB | |
| SCHEMBL5572674 | 0.77 | POLB (0.59) | POLBKDM4EL3MBTL1ALDH1A1HTT | |
| SCHEMBL5681800 | 0.75 | DRD4 (0.62) | USP2LMNATHRBPOLBKDM4E | |
| Hydrochloric Acid SCHEMBL10334149 | 0.73 | KDM4E (0.75) | USP2LMNATHRBPOLBKDM4E | |
| SCHEMBL5683636 | 0.72 | TGFBR1 (0.55) | TGFBR1ACVR1USP2LMNATHRB | |
| SCHEMBL5683255 | 0.72 | DRD4 (0.58) | USP2LMNATHRBPOLBKDM4E |
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-6509329-B1 | Inhibitory effects on both cell adhesion and cell infiltration and is useful as a medicine for prevention or treatment of diseases such as allergy, asthma, rheumatism, arteriosclerosis and inflammation | KOWA CO., LTD. (JP) | 2003-01-21 | — | — | US | disclosed |