Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 8/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | DHODH | Q02127 | 1/20 | 0.50 |
| ▸ | TACR2 | P21452 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL7374093 | 1.00 | TACR3 (0.58) | TACR3TSHRKDM4ELMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4468123 | 0.99 | TACR3 (0.57) | TACR3TSHRKDM4ELMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL27417943 | 0.99 | TACR3 (0.57) | TACR3TSHRKDM4ELMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4468122 | 0.99 | TACR3 (0.57) | TACR3TSHRKDM4ELMNASMN1; SMN2 | |
| SCHEMBL13209768 | 0.78 | TSHR (0.66) | TACR3TSHRKDM4ELMNASMN1; SMN2 | |
| SCHEMBL10760283 | 0.78 | TSHR (0.72) | TACR3TSHRKDM4ELMNASMN1; SMN2 | |
| SCHEMBL7684676 | 0.77 | TACR3 (0.74) | TACR3TSHRKDM4ELMNASMN1; SMN2 | |
| SCHEMBL7684672 | 0.77 | TACR3 (0.74) | TACR3TSHRKDM4ELMNASMN1; SMN2 | |
| SCHEMBL2576382 | 0.75 | KDM4E (0.76) | TACR3TSHRKDM4ELMNASMN1; SMN2 | |
| SCHEMBL10763834 | 0.74 | TSHR (0.67) | TACR3TSHRKDM4ELMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1192952-A2 | Combination, for treating depression and anxiety, containing an NK-3 receptor antagonist and a CNS penetrant NK-1 receptor antagonist | Pfizer Products Inc. (US) | 2002-04-03 | — | — | EP | claimed |
| EP-0804419-A1 | QUINOLINE DERIVATIVES AS TACHYKININ NK 3 RECEPTOR ANTAGONISTS | SmithKline Beecham Farmaceutici S.p.A. (IT) | 1997-11-05 | — | — | EP | disclosed |
| WO-1997019927-A1 | QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS | SMITHKLINE BEECHAM S.P.A. (IT) | 1997-06-05 | — | — | WO | disclosed |
| WO-1995032948-A1 | QUINOLINE DERIVATIVES AS TACHYKININ NK3 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) | 1995-12-07 | — | — | WO | disclosed |