Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 6/20 | 0.53 |
| ▸ | CFTR | P13569 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | DRD4 | P21917 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CPT1A | P50416 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8328961 | 1.00 | TACR1 (0.53) | TACR1CFTRDRD2DRD4KMT2A | |
| SCHEMBL1626959 | 0.86 | KMT2A (0.53) | TACR1KMT2AGAAALDH1A1MEN1 | |
| SCHEMBL8611479 | 0.85 | TACR1 (0.38) | TACR1CFTRDRD2KMT2ACPT1A | |
| Hydrochloric Acid SCHEMBL8613936 | 0.84 | TACR1 (0.38) | TACR1CFTRDRD2KMT2ACPT1A | |
| SCHEMBL8681005 | 0.83 | TACR1 (0.39) | TACR1KMT2AGAAKDM1AMAOA | |
| Hydrochloric Acid SCHEMBL8681079 | 0.82 | TACR1 (0.39) | TACR1KMT2AGAAKDM1AMAOA | |
| Hydrochloric Acid SCHEMBL9420087 | 0.82 | TACR1 (0.57) | TACR1 | |
| SCHEMBL20178136 | 0.82 | TACR1 (0.55) | TACR1CFTRKDM1AMAOAMAOB | |
| SCHEMBL20178205 | 0.81 | TACR1 (0.46) | TACR1CFTRKDM1AMAOAMAOB | |
| SCHEMBL8701388 | 0.80 | TACR1 (0.58) | TACR1DRD2KMT2AGAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5990125-A | NK-1 receptor antagonists for the treatment of cancer | PFIZER INC. (US) | 1999-11-23 | — | — | US | disclosed |