Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.68 |
| ▸ | CA1 | P00915 | 1/20 | 0.68 |
| ▸ | CA2 | P00918 | 1/20 | 0.68 |
| ▸ | CA7 | P43166 | 1/20 | 0.68 |
| ▸ | CA9 | Q16790 | 1/20 | 0.68 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.68 |
| ▸ | CALM1 | P0DP23 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 5/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL19612211 | 0.92 | KDM4E (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12093645 | 0.92 | CA12 (0.68) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9715643 | 0.85 | CA2 (0.64) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16705731 | 0.85 | CA12 (0.48) | CA12CA1CA2CA7CA9 | |
| 1,2,4-Trimethoxybenzene SCHEMBL27582647 | 0.85 | CA2 (0.86) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13791585 | 0.82 | LTA4H (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20652692 | 0.82 | KDM4E (0.51) | CA12CA1CA2CA7CA9 | |
| 1,2,4-Trimethoxybenzene SCHEMBL481491 | 0.82 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| 1,2,4-Trimethoxybenzene SCHEMBL29350371 | 0.82 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| 1,2,4-Trimethoxybenzene SCHEMBL27777905 | 0.82 | CA12 (1.00) | CA12CA1CA2CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5604241-A | Substituted benzylaminoquinuclidines as substance P antagonists | PFIZER INC. (US) | 1997-02-18 | — | — | US | disclosed |
| EP-0665844-A1 | SUBSTITUTED BENZYLAMINOQUINUCLIDINES AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1995-08-09 | — | — | EP | disclosed |
| WO-1994008997-A1 | SUBSTITUTED BENZYLAMINOQUINUCLIDINES AS SUBSTANCE P ANTAGONISTS | PFIZER INC. (US) | 1994-04-28 | — | — | WO | disclosed |