Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
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 SCHEMBL3079691 | 0.99 | ALDH1A1 (0.54) | ALDH1A1OPRD1OPRK1SMN1; SMN2POLB | |
| SCHEMBL5166771 | 0.90 | ALDH1A1 (0.60) | ALDH1A1OPRD1OPRK1SMN1; SMN2KDM4E | |
| Hydrochloric Acid SCHEMBL3098400 | 0.89 | ALDH1A1 (0.59) | ALDH1A1OPRD1OPRK1SMN1; SMN2KDM4E | |
| SCHEMBL5166618 | 0.88 | ALDH1A1 (0.58) | ALDH1A1OPRD1OPRK1SMN1; SMN2KDM4E | |
| SCHEMBL3081018 | 0.88 | ALDH1A1 (0.60) | ALDH1A1OPRD1OPRK1POLBKDM4E | |
| Hydrochloric Acid SCHEMBL3074059 | 0.87 | ALDH1A1 (0.57) | ALDH1A1OPRD1OPRK1SMN1; SMN2KDM4E | |
| SCHEMBL5168339 | 0.87 | ALDH1A1 (0.57) | ALDH1A1OPRD1OPRK1SMN1; SMN2KDM4E | |
| SCHEMBL5168369 | 0.87 | ALDH1A1 (0.57) | ALDH1A1OPRD1OPRK1POLBKDM4E | |
| Hydrochloric Acid SCHEMBL11194779 | 0.87 | ALDH1A1 (0.59) | ALDH1A1OPRD1OPRK1POLBKDM4E | |
| SCHEMBL5166683 | 0.87 | ALDH1A1 (0.48) | ALDH1A1OPRD1OPRK1SMN1; SMN2POLB |
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-1771417-A1 | SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-04-11 | — | — | EP | claimed |
| WO-2006010577-A1 | SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES | Grünenthal GmbH (DE) | 2006-02-02 | — | — | WO | claimed |
| EP-1771417-A1 | SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-04-11 | — | — | EP | disclosed |
| WO-2006010577-A1 | SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES | Grünenthal GmbH (DE) | 2006-02-02 | — | — | WO | disclosed |