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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT1 | P54687 | 4/20 | 0.61 |
| ▸ | NHERF1 | O14745 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | GUSB | P08236 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PYGL | P06737 | 2/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | F7 | P08709 | 1/20 | 0.45 |
| ▸ | F3 | P13726 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6401150 | 0.94 | NHERF1 (0.61) | BCAT1NHERF1KDM4EGUSBMEN1 | |
| Hydrochloric Acid SCHEMBL6399705 | 0.93 | NHERF1 (0.60) | BCAT1NHERF1KDM4EGUSBMEN1 | |
| SCHEMBL6404154 | 0.91 | BCAT1 (0.53) | BCAT1NHERF1KDM4EGUSBMEN1 | |
| SCHEMBL6401282 | 0.90 | BCAT1 (0.54) | BCAT1NHERF1KDM4EGUSBMEN1 | |
| Fumaric Acid SCHEMBL6406940 | 0.88 | NHERF1 (0.57) | BCAT1NHERF1KDM4EGUSBMEN1 | |
| SCHEMBL6398781 | 0.88 | BCAT1 (0.52) | BCAT1NHERF1KDM4EMEN1NPC1 | |
| SCHEMBL6401177 | 0.88 | KDM4E (0.68) | BCAT1NHERF1KDM4EGUSBMEN1 | |
| SCHEMBL6405416 | 0.87 | BCAT1 (0.58) | BCAT1NHERF1GUSBMEN1NPC1 | |
| SCHEMBL6406739 | 0.86 | BCAT1 (0.62) | BCAT1NHERF1KDM4EGUSBMEN1 | |
| SCHEMBL6400560 | 0.84 | NHERF1 (0.58) | BCAT1NHERF1KDM4EGUSBMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050054696-A1 | Indole compounds and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2005-03-10 | — | — | US | claimed |
| EP-1452526-A1 | INDOLE COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2004-09-01 | — | — | EP | claimed |
| US-20050054696-A1 | Indole compounds and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2005-03-10 | — | — | US | disclosed |
| EP-1452526-A1 | INDOLE COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2004-09-01 | — | — | EP | 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-20050054696-A1 | Indole compounds and medicinal use thereof | IDO1, GPR119, SLC5A1 | BCAT1 854/4885NHERF1 332/4885KDM4E 1617/4885 |
“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.