Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GPX4 | P36969 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 2/20 | 0.33 |
| ▸ | CDK8 | P49336 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8925754 | 1.00 | HSD17B2 (0.36) | HSD17B2MGLLHPGDTACR1ALDH1A1 | |
| SCHEMBL9204527 | 0.90 | TACR1 (0.41) | HSD17B2HPGDTACR1ALDH1A1LMNA | |
| SCHEMBL8939874 | 0.90 | TACR1 (0.41) | HSD17B2HPGDTACR1ALDH1A1LMNA | |
| SCHEMBL8926027 | 0.89 | HSD17B2 (0.40) | HSD17B2HPGDTACR1 | |
| SCHEMBL8925651 | 0.89 | HSD17B2 (0.40) | HSD17B2HPGDTACR1 | |
| SCHEMBL8925866 | 0.87 | GRIN2C (0.40) | HSD17B2TACR1ALDH1A1GAALMNA | |
| SCHEMBL8926073 | 0.87 | GRIN2C (0.40) | HSD17B2TACR1ALDH1A1GAALMNA | |
| SCHEMBL8925804 | 0.86 | MTNR1B (0.38) | HPGDTACR1GAATP53 | |
| SCHEMBL8925221 | 0.86 | MTNR1B (0.38) | HPGDTACR1GAATP53 | |
| SCHEMBL8926452 | 0.84 | P2RX7 (0.41) | EPHX2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5646144-A | FOR TREATING DISORDERS IN WHICH SUBSTANCE P PLAYS A PART IN DEVELOPMENT | CIBA-GEIGY CORPORATION (US) | 1997-07-08 | — | — | US | disclosed |
| US-5541195-A | SUBSTANCE P ANTAGONISTS | CIBA-GEIGY CORPORATION (US) | 1996-07-30 | — | — | US | disclosed |
| EP-0532456-B1 | 1-Acylpiperidine derivatives and their use as substance P antagonists | CIBA GEIGY AG (CH) | 1995-03-29 | — | — | EP | disclosed |
| EP-0532456-A1 | 1-Acylpiperidine derivatives and their use as substance P antagonists | CIBA-GEIGY AG (CH) | 1993-03-17 | — | — | EP | disclosed |