Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.34 |
| ▸ | EDNRB | P24530 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8703803 | 0.90 | TACR1 (0.36) | TACR1ALDH1A1LMNANPSR1MCOLN3 | |
| SCHEMBL8701299 | 0.90 | TACR1 (0.36) | TACR1ALDH1A1PTGS2MEN1KMT2A | |
| SCHEMBL8701939 | 0.89 | TACR1 (0.35) | TACR1PTGS2 | |
| Hydrochloric Acid SCHEMBL8702143 | 0.89 | TACR1 (0.35) | TACR1ALDH1A1PTGS2MEN1KMT2A | |
| SCHEMBL8706807 | 0.89 | ALDH1A1 (0.37) | TACR1ALDH1A1LMNANPSR1MCOLN3 | |
| SCHEMBL8705094 | 0.89 | TACR1 (0.35) | TACR1ALDH1A1LMNANPSR1MCOLN3 | |
| Hydrochloric Acid SCHEMBL8701130 | 0.89 | TACR1 (0.35) | TACR1ALDH1A1LMNANPSR1MCOLN3 | |
| SCHEMBL8701894 | 0.89 | SMN1; SMN2 (0.36) | TACR1LMNAMCOLN3CYP2D6TSHR | |
| SCHEMBL8707766 | 0.88 | TACR1 (0.38) | TACR1 | |
| Hydrochloric Acid SCHEMBL8707886 | 0.88 | TACR1 (0.35) | TACR1PTGS2 |
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-5721255-A | Substituted benzylamino nitrogen containing non-aromatic heterocycles | PFIZER INC. (US) | 1998-02-24 | — | — | US | claimed |
| US-5721255-A | Substituted benzylamino nitrogen containing non-aromatic heterocycles | PFIZER INC. (US) | 1998-02-24 | — | — | US | disclosed |