Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | LSS | P48449 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 SCHEMBL6659277 | 0.84 | HSD11B1 (0.50) | POLBALDH1A1SMN1; SMN2TSHRCYP1A2 | |
| Hydrochloric Acid SCHEMBL6659375 | 0.76 | SMN1; SMN2 (0.53) | PKMALDH1A1SMN1; SMN2SIGMAR1HTT | |
| Hydrochloric Acid SCHEMBL6659919 | 0.75 | ALDH1A1 (0.51) | POLBALDH1A1TSHRCYP1A2LMNA | |
| Hydrochloric Acid SCHEMBL6659351 | 0.74 | SIGMAR1 (0.49) | FAAHSIGMAR1HRH3 | |
| SCHEMBL27856022 | 0.73 | POLB (0.70) | POLBPKMALDH1A1FAAHSMN1; SMN2 | |
| SCHEMBL19002261 | 0.72 | POLB (0.73) | POLBPKMALDH1A1FAAHSMN1; SMN2 | |
| SCHEMBL19049377 | 0.72 | HRH3 (0.71) | POLBPKMALDH1A1FAAHSMN1; SMN2 | |
| SCHEMBL6630360 | 0.72 | SIGMAR1 (0.69) | POLBPKMALDH1A1FAAHSMN1; SMN2 | |
| SCHEMBL20804352 | 0.70 | SIGMAR1 (0.85) | POLBPKMALDH1A1SMN1; SMN2SIGMAR1 | |
| SCHEMBL1043952 | 0.70 | SIGMAR1 (0.85) | POLBPKMALDH1A1SMN1; SMN2SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1441728-A2 | MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY | Vertex Pharmaceuticals Incorporated (US) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003037338-A2 | MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-05-08 | — | — | WO | disclosed |
| EP-1257544-A2 | PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE | Vertex Pharmaceuticals Incorporated (US) | 2002-11-20 | — | — | EP | disclosed |
| WO-2001058891-A2 | PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2001-08-16 | — | — | WO | disclosed |