Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA7 | P43166 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4173490 | 0.91 | MCHR1 (0.44) | NPSR1CA1CA2CA7CA9 | |
| SCHEMBL217560 | 0.84 | CA1 (0.58) | CA1CA2CA7CA9CA12 | |
| SCHEMBL28179421 | 0.82 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL105697 | 0.78 | CA1 (0.65) | NPSR1CA1CA2CA7CA9 | |
| SCHEMBL31433095 | 0.78 | CA1 (0.65) | NPSR1CA1CA2CA7CA9 | |
| SCHEMBL26617142 | 0.78 | MCHR1 (0.39) | NPSR1CA1CA2CA7CA9 | |
| SCHEMBL14986457 | 0.77 | CA1 (0.44) | NPSR1CA1CA2CA7CA9 | |
| SCHEMBL15772943 | 0.77 | IDO1 (0.45) | NPSR1CA1CA2CA7CA9 | |
| SCHEMBL19612192 | 0.77 | SMN1; SMN2 (0.47) | NPSR1CA1CA2CA7CA9 | |
| SCHEMBL13263181 | 0.77 | CA1 (0.44) | NPSR1CA1CA2CA7CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7368463-B2 | Substituted 4-amino-1-benzylpiperidine compounds | THERAVANCE, INC. (US) | 2008-05-06 | — | — | US | disclosed |