Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 6/20 | 1.00 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.78 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.49 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.49 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.49 |
| ▸ | CCR5 | P51681 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9114531 | 0.87 | TACR1 (0.77) | TACR1TDP1HTTLMNACYP1A2 | |
| SCHEMBL9112410 | 0.82 | TACR1 (0.70) | TACR1TDP1MAPK1TSHRMEN1 | |
| SCHEMBL9114494 | 0.78 | TACR1 (0.64) | TACR1TDP1CCR5MEN1KMT2A | |
| SCHEMBL15678885 | 0.77 | TACR1 (1.00) | TACR1TDP1 | |
| SCHEMBL9115746 | 0.76 | TDP1 (0.63) | TACR1TDP1HTTLMNACYP1A2 | |
| SCHEMBL9116053 | 0.76 | TACR1 (0.62) | TACR1TDP1CCR5MEN1KMT2A | |
| SCHEMBL9114062 | 0.76 | TACR1 (0.62) | TACR1TDP1HTTLMNANPSR1 | |
| SCHEMBL7815520 | 0.75 | TACR1 (0.60) | TACR1TDP1HTTNPC1RAB9A | |
| SCHEMBL9239998 | 0.74 | TACR1 (0.59) | TACR1TDP1HTTLMNANPSR1 | |
| SCHEMBL15680010 | 0.74 | TACR1 (0.86) | TACR1TDP1HTTLMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995011880-A1 | SUBSTITUTED AMIDES AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1995-05-04 | — | — | WO | claimed |
| WO-1995011880-A1 | SUBSTITUTED AMIDES AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1995-05-04 | — | — | WO | disclosed |