Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1325737 | 0.77 | RIPK1 (0.43) | SIGMAR1ALDH1A1RIPK1KDM4E | |
| SCHEMBL28005101 | 0.71 | ALDH1A1 (0.56) | ALDH1A1POLBRIPK1EPHX2KDM4E | |
| SCHEMBL27495382 | 0.69 | CHRNB2 (0.53) | RIPK1 | |
| Hydrochloric Acid SCHEMBL27370396 | 0.69 | CHRNB2 (0.43) | SIGMAR1HRH3 | |
| SCHEMBL16098845 | 0.68 | OPRD1 (0.43) | SIGMAR1TMEM97CHRM5CHRM1CHRM3 | |
| SCHEMBL27984087 | 0.68 | KDM4E (0.50) | SIGMAR1ALDH1A1TMEM97RIPK1KDM4E | |
| SCHEMBL13434093 | 0.67 | CCR5 (0.53) | SIGMAR1CHRM2CHRM3CCR5 | |
| SCHEMBL8303313 | 0.67 | TMEM97 (0.58) | SIGMAR1TMEM97RIPK1 | |
| SCHEMBL26984487 | 0.67 | TMEM97 (0.58) | SIGMAR1TMEM97RIPK1 | |
| SCHEMBL13370801 | 0.66 | EPHX2 (0.59) | ALDH1A1POLBRIPK1EPHX2KDM4E |
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-6274583-B1 | Alpha 1a adrenergic receptor antagonists | MERCK & CO., INC. | 2001-08-14 | — | — | US | disclosed |
| US-5977115-A | Alpha 1a adrenergic receptor antagonists | MERCK & CO., INC. (US) | 1999-11-02 | — | — | US | disclosed |