Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.47 |
| ▸ | DRD3 | P35462 | 3/20 | 0.47 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2486276 | 0.99 | DRD2 (0.48) | DRD2DRD3S1PR5HTR6PLAU | |
| SCHEMBL1682787 | 0.79 | DRD2 (0.56) | DRD2DRD3S1PR5HTR6PLAU | |
| SCHEMBL15078827 | 0.79 | ALDH1A1 (0.55) | DRD2DRD3HTR6TBXA2R | |
| Hydrochloric Acid SCHEMBL9368920 | 0.75 | DRD3 (0.48) | DRD2DRD3HTR6PLAUTBXA2R | |
| SCHEMBL7554445 | 0.73 | DRD2 (0.63) | DRD2DRD3HTR6PLAU | |
| SCHEMBL9017303 | 0.73 | DRD2 (0.67) | DRD2DRD3HTR6PLAUMTNR1A | |
| SCHEMBL7935279 | 0.72 | DRD2 (0.50) | DRD2DRD3PLAU | |
| SCHEMBL9017300 | 0.71 | DRD2 (0.63) | DRD2DRD3HTR6PLAUMTNR1A | |
| SCHEMBL24650352 | 0.70 | CYP4F2 (0.49) | DRD2 | |
| SCHEMBL24650329 | 0.69 | DRD2 (0.38) | DRD2DRD3MTNR1A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8513438-B2 | Process for the preparation of (6S)-(-)-5,6,7,8-tetrahydro-6-[propyl-(2-thienyl)ethyl]amino-1-naphthol (Rotigotine) | INTERQUIM, S.A. (ES) | 2013-08-20 | — | — | US | disclosed |
| EP-2376470-B1 | PROCESS FOR THE PREPARATION OF (6S)-(-)-5,6,7,8-TETRAHYDRO-6-[PROPYL-(2-THIENYL)ETHYL]AMINO-1-NAPHTHOL (ROTIGOTINE) | INTERQUIM SA (ES) | 2013-04-10 | — | — | EP | disclosed |
| US-20110306776-A1 | PROCESS FOR THE PREPARATION OF (6S)-(-)-5,6,7,8-TETRAHYDRO-6-[PROPYL-(2-THIENYL)ETHYL]AMINO-1-NAPHTHOL (ROTIGOTINE) | INTERQUIM, S.A. (ES) | 2011-12-15 | — | — | US | disclosed |
| EP-2376470-A1 | PROCESS FOR THE PREPARATION OF (6S)-(-)-5,6,7,8-TETRAHYDRO-6-ÝPROPYL-(2-THIENYL)ETHYL¨AMINO-1-NAPHTHOL (ROTIGOTINE) | Interquim, S.A (ES) | 2011-10-19 | — | — | EP | disclosed |
| WO-2010066755-A1 | PROCESS FOR THE PREPARATION OF (6S)-(-)-5,6,7,8-TETRAHYDRO-6-[PROPYL-(2-THIENYL)ETHYL]AMINO-1-NAPHTHOL (ROTIGOTINE) | INTERQUIM, S.A. (ES) | 2010-06-17 | — | — | 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-20110306776-A1 | PROCESS FOR THE PREPARATION OF (6S)-(-)-5,6,7,8-TETRAHYDRO-6-[PROPYL-(2-THIENYL)ETHYL]AMINO-1-NAPHTHOL (ROTIGOTINE) | NAT1, COMT, PARK7 | ACHE 194/4885DRD2 228/4885DRD3 161/4885 |
“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.