Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 9/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9294530 | 0.79 | SLC6A2 (0.50) | TACR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL27298881 | 0.79 | SLC6A2 (0.50) | TACR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL7654723 | 0.79 | SLC6A2 (0.50) | TACR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL4031368 | 0.79 | PREP (0.41) | TSHRMEN1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL12160757 | 0.79 | MAPT (0.56) | TACR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL11766426 | 0.79 | MAPT (0.56) | TACR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL16280635 | 0.79 | MAPT (0.56) | TACR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL20321224 | 0.79 | MAPT (0.56) | TACR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL13002585 | 0.75 | ADAM10 (0.42) | TACR1CYP1A2CYP2D6TSHRMEN1 | |
| SCHEMBL16579321 | 0.74 | MEN1 (0.50) | TACR1TP53CYP1A2CYP3A4CYP2D6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1545525-A4 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-07-01 | — | — | EP | disclosed |
| EP-1119356-A4 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2008-01-09 | — | — | EP | disclosed |
| EP-1545525-A2 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004029024-A2 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2004-04-08 | — | — | WO | disclosed |
| EP-1119356-A1 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000018403-A1 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2000-04-06 | — | — | WO | disclosed |