Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2C | Q14957 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LHCGR | P22888 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8925866 | 1.00 | GRIN2C (0.40) | GRIN2CMEN1KMT2AALDH1A1HSD17B2 | |
| SCHEMBL8927584 | 0.90 | HSD17B2 (0.42) | GRIN2CMEN1KMT2AHSD17B2TACR1 | |
| SCHEMBL8923597 | 0.90 | HSD17B2 (0.42) | GRIN2CMEN1KMT2AHSD17B2TACR1 | |
| SCHEMBL9565771 | 0.90 | HSD17B2 (0.42) | GRIN2CMEN1KMT2AHSD17B2TACR1 | |
| SCHEMBL9204527 | 0.88 | TACR1 (0.41) | ALDH1A1HSD17B2KDM4ETACR1LMNA | |
| SCHEMBL8939874 | 0.88 | TACR1 (0.41) | ALDH1A1HSD17B2KDM4ETACR1LMNA | |
| SCHEMBL8924315 | 0.87 | HSD17B2 (0.36) | ALDH1A1HSD17B2SMN1; SMN2GAATACR1 | |
| SCHEMBL8925754 | 0.87 | HSD17B2 (0.36) | ALDH1A1HSD17B2SMN1; SMN2GAATACR1 | |
| SCHEMBL8925221 | 0.84 | MTNR1B (0.38) | MEN1KMT2ATSHRGAATACR1 | |
| SCHEMBL8925804 | 0.84 | MTNR1B (0.38) | MEN1KMT2ATSHRGAATACR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0532456-B1 | 1-Acylpiperidine derivatives and their use as substance P antagonists | CIBA GEIGY AG (CH) | 1995-03-29 | — | — | EP | claimed |
| EP-0532456-A1 | 1-Acylpiperidine derivatives and their use as substance P antagonists | CIBA-GEIGY AG (CH) | 1993-03-17 | — | — | EP | claimed |
| US-5646144-A | FOR TREATING DISORDERS IN WHICH SUBSTANCE P PLAYS A PART IN DEVELOPMENT | CIBA-GEIGY CORPORATION (US) | 1997-07-08 | — | — | US | disclosed |
| EP-0532456-B1 | 1-Acylpiperidine derivatives and their use as substance P antagonists | CIBA GEIGY AG (CH) | 1995-03-29 | — | — | EP | disclosed |
| US-5310743-A | Substance P antagonist | CIBA-GEIGY CORP. (US) | 1994-05-10 | — | — | US | disclosed |