Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | CXCR4 | P61073 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.55 |
| ▸ | CCR2 | P41597 | 1/20 | 0.55 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.55 |
| ▸ | HTR6 | P50406 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4741281 | 0.83 | SIGMAR1 (0.54) | TSHRMAPTCXCR4MEN1KMT2A | |
| SCHEMBL4198058 | 0.80 | CD4 (0.61) | TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL722275 | 0.80 | SIGMAR1 (0.56) | CXCR4MEN1KMT2ACHRM2CHRM1 | |
| SCHEMBL614784 | 0.80 | KDM4E (0.58) | CXCR4MEN1KMT2ACHRM2CHRM1 | |
| SCHEMBL3969181 | 0.79 | LMNA (0.62) | TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL4786278 | 0.79 | KMT2A (0.60) | TSHRMAPTUSP2MEN1KMT2A | |
| SCHEMBL19392254 | 0.78 | TSHR (0.58) | TSHRUSP2MEN1KMT2AHRH3 | |
| Hydrochloric Acid SCHEMBL29045124 | 0.78 | CXCR4 (0.57) | CXCR4MEN1KMT2ACHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL4786214 | 0.78 | KMT2A (0.59) | TSHRMAPTUSP2MEN1KMT2A | |
| SCHEMBL6765737 | 0.78 | CXCR4 (0.67) | CXCR4MEN1KMT2ACHRM2CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011121309-A1 | PHENYL SULFONYL DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-10-06 | — | — | WO | claimed |
| WO-2011121309-A1 | PHENYL SULFONYL DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-10-06 | — | — | WO | disclosed |