Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 2/20 | 0.37 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | MARK4 | Q96L34 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8366249 | 0.86 | ALDH1A1 (0.39) | KDM4EALDH1A1LMNASMN1; SMN2ACHE | |
| SCHEMBL8365000 | 0.81 | SLC6A3 (0.39) | KDM4EALDH1A1LMNASMN1; SMN2TACR1 | |
| SCHEMBL8124968 | 0.72 | TACR1 (0.36) | ALDH1A1LMNASMN1; SMN2TACR1SLC6A9 | |
| SCHEMBL8970550 | 0.69 | TACR1 (0.42) | TACR1CYP3A4CYP2D6OPRK1CYP1A2 | |
| Hydrochloric Acid SCHEMBL8430668 | 0.69 | TACR2 (0.39) | TACR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8364651 | 0.69 | CCR5 (0.46) | TACR1 | |
| SCHEMBL7599760 | 0.69 | KDM4E (0.63) | KDM4ELMNATACR1ATMCYP2D6 | |
| SCHEMBL8366286 | 0.68 | MEN1 (0.47) | ALDH1A1SMN1; SMN2TACR1SLC6A2SLC6A4 | |
| SCHEMBL8561473 | 0.67 | TACR1 (0.42) | TACR1CYP3A4CYP2D6OPRK1CYP1A2 | |
| SCHEMBL8369232 | 0.67 | MEN1 (0.46) | ALDH1A1SMN1; SMN2TACR1SLC6A2SLC6A4 |
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-5939411-A | PIPERIDINE DERIVATIVES SUBSTITUTED AT POSITION 4 WITH NEW FUNCTIONS OTHER THAN THOSE DESCRIBED PREVIOUSLY HAVE A HIGH AFFINITY FOR NEUROKININ RECEPTORS AND ARE USEFUL FOR TREATMENT OF SUBSTANCE P AND NEUROKININ DEPENDENT PATHOLOGIES | SANOFI (FR) | 1999-08-17 | — | — | US | disclosed |
| US-5830906-A | Piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them | SANOFI (FR) | 1998-11-03 | — | — | US | disclosed |