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 | |
|---|---|---|---|---|
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.51 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 10/20 | 0.68 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.58 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.58 |
| ▸ | HDAC4 | P56524 | 7/20 | 0.58 |
| ▸ | HDAC7 | Q8WUI4 | 7/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.58 |
| ▸ | HDAC10 | Q969S8 | 7/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 7/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.58 |
| ▸ | HDAC9 | Q9UKV0 | 7/20 | 0.58 |
| ▸ | HDAC5 | Q9UQL6 | 7/20 | 0.58 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4949871 | 0.94 | HDAC6 (0.66) | HDAC6HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL21225986 | 0.94 | HDAC6 (0.66) | HDAC6HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL21225987 | 0.94 | HDAC6 (0.66) | HDAC6HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL28675122 | 0.88 | HDAC6 (0.69) | HDAC6HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL1245373 | 0.88 | HDAC6 (0.61) | HDAC6HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL4950596 | 0.85 | HDAC6 (0.58) | HDAC6HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL21224492 | 0.84 | HDAC6 (0.67) | HDAC6HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL21224494 | 0.84 | HDAC6 (0.67) | HDAC6HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL21224196 | 0.83 | HDAC6 (0.66) | HDAC6HDAC1ELOVL1MAPTALDH1A1 | |
| SCHEMBL21224198 | 0.83 | HDAC6 (0.66) | HDAC6HDAC1ELOVL1MAPTALDH1A1 |
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-20080076741-A1 | ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS | REMPEX PHARMACEUTICALS, INC. | 2008-03-27 | — | — | US | disclosed |
| US-20060003944-A1 | Bacterial efflux pump inhibitors and methods of treating bacterial infections | REMPEX PHARMACEUTICALS, INC. | 2006-01-05 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080076741-A1 | ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS | ABCB1, ABCB11, SLC47A2 | ROCK2 2234/4885ROCK1 2365/4885HDAC6 262/4885 |
| US-20060003944-A1 | Bacterial efflux pump inhibitors and methods of treating bacterial infections | ABCB11, ABCB1, ABCC1 | ROCK2 1383/4885ROCK1 1532/4885HDAC6 509/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.