Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 9/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.39 |
| ▸ | HTR1B | P28222 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7529387 | 1.00 | TACR1 (0.61) | TACR1MEN1KMT2ANPC1POLB | |
| Hydrochloric Acid SCHEMBL7569288 | 0.99 | TACR1 (0.60) | TACR1MEN1KMT2ANPC1POLB | |
| Hydrochloric Acid SCHEMBL7569286 | 0.99 | TACR1 (0.60) | TACR1MEN1KMT2ANPC1POLB | |
| SCHEMBL7525917 | 0.88 | TACR1 (0.77) | TACR1 | |
| SCHEMBL7525927 | 0.88 | TACR1 (0.77) | TACR1 | |
| SCHEMBL7532240 | 0.88 | TACR1 (0.77) | TACR1 | |
| SCHEMBL7469433 | 0.79 | TACR1 (0.69) | TACR1 | |
| SCHEMBL13524867 | 0.79 | TACR1 (0.55) | TACR1MEN1KMT2ANPC1POLB | |
| SCHEMBL13525369 | 0.79 | TACR1 (0.55) | TACR1MEN1KMT2ANPC1POLB | |
| SCHEMBL7469438 | 0.78 | CCKBR (0.49) | TACR1MEN1KMT2ANPC1POLB |
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-1244653-A1 | NON PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001046176-A2 | NON PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 2001-06-28 | — | — | WO | disclosed |