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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 7/20 | 0.67 |
| ▸ | MPO | P05164 | 19/20 | 0.67 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.60 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.60 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL4352009 | 0.90 | MPO (0.74) | MPOSLC6A4 | |
| SCHEMBL5203031 | 0.86 | MPO (0.73) | MPOSLC6A4 | |
| SCHEMBL4463073 | 0.83 | MPO (0.68) | MPOSLC6A4MTNR1AMTNR1BNOTUM | |
| SCHEMBL29571866 | 0.81 | MPO (0.73) | MPOSLC6A4 | |
| SCHEMBL517983 | 0.81 | MPO (0.73) | MPOSLC6A4 | |
| SCHEMBL1272247 | 0.81 | MPO (0.64) | MPOSLC6A4MTNR1AMTNR1BNOTUM | |
| SCHEMBL9371511 | 0.81 | SPR (0.62) | MPOSLC6A4 | |
| SCHEMBL3702253 | 0.81 | MPO (0.62) | MPOSLC6A4 | |
| SCHEMBL6971576 | 0.80 | MPO (0.92) | MPOSLC6A4 | |
| SCHEMBL5201036 | 0.80 | MPO (0.61) | MPOSLC6A4 |
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-20120122948-A1 | 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS | UNIVERSITE LIBRE DE BEUXELLES (BE) | 2012-05-17 | — | — | US | disclosed |
| WO-2010136546-A1 | 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS | Université Libre de Bruxelles (BE) | 2010-12-02 | — | — | WO | 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 (1 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-20120122948-A1 | 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS | MPO, SERPINB1, MAOA | SLC6A4 460/4885MPO 1/4885MTNR1A 421/4885 |
“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.