Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY6 | Q15077 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | MIF | P14174 | 5/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8978144 | 0.98 | P2RY6 (0.66) | P2RY6ALDH1A1PKMMIFCA1 | |
| SCHEMBL1853024 | 0.82 | P2RY6 (1.00) | P2RY6MIFCA1CA2CHRM1 | |
| SCHEMBL9547715 | 0.82 | P2RY6 (1.00) | P2RY6MIFCA1CA2CHRM1 | |
| SCHEMBL5186242 | 0.79 | P2RY6 (0.76) | P2RY6MIFCA1CA2HSD17B10 | |
| SCHEMBL347652 | 0.76 | P2RY6 (0.79) | P2RY6MIFCA1CA2CHRM1 | |
| SCHEMBL1457664 | 0.76 | P2RY6 (0.70) | P2RY6ALDH1A1MIFCA1CA2 | |
| SCHEMBL8503279 | 0.75 | P2RY6 (0.76) | P2RY6ALDH1A1MIFCA1CA2 | |
| SCHEMBL6417472 | 0.75 | P2RY6 (0.76) | P2RY6MIFCA1CA2CHRM1 | |
| SCHEMBL3880561 | 0.75 | P2RY6 (0.76) | P2RY6ALDH1A1MIFCA1CA2 | |
| SCHEMBL27467439 | 0.75 | P2RY6 (0.76) | P2RY6MIFCA1CA2CHRM1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5534440-A | ISOTHIOCYANATE, IONIZABLE GROUP | BIOMEDICAL RESEARCH CENTRE LIMITED (CA) | 1996-07-09 | — | — | US | claimed |
| EP-0573482-B1 | COMPOUNDS AND METHODS FOR SEQUENCING AMINO ACIDS | B R CENTRE LIMITED (CA) | 1995-12-27 | — | — | EP | claimed |
| WO-1992014702-A1 | COMPOUNDS AND METHODS FOR SEQUENCING AMINO ACIDS | B.R. CENTRE LIMITED (CA) | 1992-09-03 | — | — | WO | claimed |
| US-5534440-A | ISOTHIOCYANATE, IONIZABLE GROUP | BIOMEDICAL RESEARCH CENTRE LIMITED (CA) | 1996-07-09 | — | — | US | disclosed |
| US-5534440-A | ISOTHIOCYANATE, IONIZABLE GROUP | BIOMEDICAL RESEARCH CENTRE LIMITED (CA) | 1996-07-09 | — | — | US | disclosed |
| EP-0573482-B1 | COMPOUNDS AND METHODS FOR SEQUENCING AMINO ACIDS | B R CENTRE LIMITED (CA) | 1995-12-27 | — | — | EP | disclosed |
| US-5240859-A | Coupling terminal amino acid with thioisocyanate, cleaving and identification; spectometrometric analysis | B.R. CENTRE LIMITED (CA) | 1993-08-31 | — | — | US | disclosed |
| US-5240859-A | Coupling terminal amino acid with thioisocyanate, cleaving and identification; spectometrometric analysis | B.R. CENTRE LIMITED (CA) | 1993-08-31 | — | — | US | disclosed |
| WO-1992014702-A1 | COMPOUNDS AND METHODS FOR SEQUENCING AMINO ACIDS | B.R. CENTRE LIMITED (CA) | 1992-09-03 | — | — | WO | disclosed |
| WO-1992014702-A1 | COMPOUNDS AND METHODS FOR SEQUENCING AMINO ACIDS | B.R. CENTRE LIMITED (CA) | 1992-09-03 | — | — | WO | disclosed |