Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 7/20 | 0.52 |
| ▸ | ECE1 | P42892 | 3/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | BRS3 | P32247 | 2/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6951091 | 0.93 | HDAC3 (0.55) | TACR1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL6953022 | 0.91 | TACR1 (0.53) | TACR1ECE1HDAC3HDAC1HDAC2 | |
| SCHEMBL6305772 | 0.91 | TACR1 (0.53) | TACR1ECE1BCHE | |
| SCHEMBL6307005 | 0.89 | TACR1 (0.68) | TACR1 | |
| SCHEMBL6948458 | 0.89 | TACR1 (0.51) | TACR1ECE1BCHE | |
| SCHEMBL6307179 | 0.87 | ECE1 (0.46) | TACR1ECE1BCHEERAP2 | |
| SCHEMBL6300767 | 0.83 | HDAC3 (0.49) | TACR1HDAC3HDAC1HDAC2BCHE | |
| SCHEMBL6949521 | 0.79 | TACR1 (0.79) | TACR1 | |
| SCHEMBL6425399 | 0.78 | TACR1 (0.69) | TACR1 | |
| SCHEMBL6307568 | 0.76 | TACR1 (0.70) | TACR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0699665-B1 | Imidazoline derivatives, their preparation and their use as tachykinin receptor antagonists | LILLY CO ELI (US) | 2003-03-05 | — | — | EP | disclosed |
| US-6175013-B1 | 1-(2-METHOXYBENZYL)-2-((4-PHENYL-1-PIPERAZINYL)METHYL)-4-(1H -INDOL-3-YLMETHYL)-2-IMIDAZOLINE, FOR EXAMPLE; ADMINSTERING TO TREAT ANXIETY, DEPRESSION, PSYCHOSIS, AND SCHIZOPHRENIA | ELI LILLY AND COMPANY | 2001-01-16 | — | — | US | disclosed |
| EP-0699665-A1 | Imidazoline derivatives, their preparation and their use as tachykinin receptor antagonists | ELI LILLY AND COMPANY (US) | 1996-03-06 | — | — | EP | disclosed |