Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 20/20 | 1.00 |
| ▸ | TACR2 | P21452 | 5/20 | 0.78 |
| ▸ | TSHR | P16473 | 2/20 | 0.78 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.78 |
| ▸ | MEN1 | O00255 | 1/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.78 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.78 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.78 |
| ▸ | MTOR | P42345 | 1/20 | 0.78 |
| ▸ | BLM | P54132 | 1/20 | 0.78 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.78 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.78 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.78 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.78 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.78 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.78 |
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 | |
|---|---|---|---|---|
| SCHEMBL7408586 | 1.00 | TACR3 (1.00) | TACR3TACR2TSHRKDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL6450761 | 0.99 | TACR3 (0.97) | TACR3TACR2TSHRKDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL6660605 | 0.99 | TACR3 (0.97) | TACR3TACR2TSHRKDM4EMEN1 | |
| SCHEMBL6451797 | 0.90 | TACR3 (1.00) | TACR3TACR2TSHRKDM4EMEN1 | |
| SCHEMBL4464506 | 0.90 | TACR3 (1.00) | TACR3TACR2TSHRKDM4EMEN1 | |
| SCHEMBL6451794 | 0.90 | TACR3 (1.00) | TACR3TACR2TSHRKDM4EMEN1 | |
| SCHEMBL4464510 | 0.90 | TACR3 (1.00) | TACR3TACR2TSHRKDM4EMEN1 | |
| SCHEMBL4459313 | 0.88 | TACR3 (1.00) | TACR3TACR2TSHRKDM4EMEN1 | |
| SCHEMBL4459316 | 0.88 | TACR3 (1.00) | TACR3TACR2TSHRKDM4EMEN1 | |
| SCHEMBL4471933 | 0.88 | TACR3 (1.00) | TACR3TACR2TSHRKDM4EMEN1 |
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 2 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 |
| WO-1995032948-A1 | QUINOLINE DERIVATIVES AS TACHYKININ NK3 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) | 1995-12-07 | — | — | WO | claimed |