Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 5/20 | 0.51 |
| ▸ | CPA1 | P15085 | 1/20 | 0.47 |
| ▸ | ACE | P12821 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | FPR2 | P25090 | 1/20 | 0.42 |
| ▸ | ECE1 | P42892 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 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 | |
|---|---|---|---|---|
| SCHEMBL18765662 | 0.86 | CTRB1 (0.54) | CTRB1CPA1ACENPSR1NPC1 | |
| SCHEMBL639626 | 0.83 | CTRB1 (0.71) | CTRB1CPA1ACENPC1RAB9A | |
| SCHEMBL639902 | 0.81 | ALDH1A1 (0.59) | CTRB1CPA1ACENPC1RAB9A | |
| SCHEMBL18793922 | 0.81 | CTRB1 (0.59) | CTRB1CPA1ACENPC1RAB9A | |
| SCHEMBL5180357 | 0.80 | NPSR1 (0.69) | CPA1ACENPSR1FPR2ECE1 | |
| SCHEMBL8613833 | 0.80 | NPSR1 (0.69) | CPA1ACENPSR1FPR2ECE1 | |
| SCHEMBL8420771 | 0.80 | NPC1 (0.67) | CTRB1NPC1RAB9A | |
| SCHEMBL5180354 | 0.80 | NPSR1 (0.69) | CPA1ACENPSR1FPR2ECE1 | |
| SCHEMBL3533337 | 0.80 | CPA1 (0.47) | CTRB1CPA1ACENPSR1NPC1 | |
| SCHEMBL4462033 | 0.80 | NPC1 (0.67) | CTRB1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-5204471-A | α-trifluoromethyl-substituted, saturated bicyclic amines | BAYER AKTIENGESELLSCHAFT (DE) | 1993-04-20 | — | — | US | disclosed |
| EP-0527385-A1 | Alpha-trifluoromethyl substituted, saturated bicyclic amines and process for their preparation | BAYER AG (DE) | 1993-02-17 | — | — | EP | disclosed |