Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | SYK | P43405 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 2/20 | 0.45 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5929971 | 1.00 | CTRB1 (0.60) | CTRB1CYP3A4ALDH1A1TSHRCYP1A2 | |
| SCHEMBL7460347 | 0.91 | CTRB1 (0.59) | CTRB1CYP3A4ALDH1A1TSHRCYP1A2 | |
| SCHEMBL7460349 | 0.91 | CTRB1 (0.59) | CTRB1CYP3A4ALDH1A1TSHRCYP1A2 | |
| SCHEMBL2435512 | 0.88 | CTRB1 (0.76) | CTRB1CYP3A4ALDH1A1TSHRCYP1A2 | |
| SCHEMBL1051352 | 0.88 | CTRB1 (0.76) | CTRB1CYP3A4ALDH1A1TSHRCYP1A2 | |
| SCHEMBL2482903 | 0.88 | CTRB1 (0.76) | CTRB1CYP3A4ALDH1A1TSHRCYP1A2 | |
| Carbamic Acid SCHEMBL8426357 | 0.84 | CTRB1 (0.70) | CTRB1CYP3A4ALDH1A1TSHRCYP1A2 | |
| Carbamic Acid SCHEMBL8426387 | 0.84 | CTRB1 (0.70) | CTRB1CYP3A4ALDH1A1TSHRCYP1A2 | |
| SCHEMBL4829896 | 0.83 | CTRB1 (0.68) | CTRB1ALDH1A1CYP1A2SMN1; SMN2NPC1 | |
| SCHEMBL3303033 | 0.83 | ITGB3 (0.56) | CTRB1ALDH1A1TACR1CTSLCTSB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1392645-A2 | AZA HYDROXYLATED ETHYL AMINE COMPOUNDS | Elan Pharmaceuticals, Inc. (US) | 2004-03-03 | — | — | EP | disclosed |
| EP-1392315-A1 | METHODS OF TREATING ALZHEIMER'S DISEASE | Elan Pharmaceuticals, Inc. (US) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002100410-A1 | METHODS OF TREATING ALZHEIMER'S DISEASE | ELAN PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |
| WO-2002094768-A2 | AZA HYDROXYLATED ETHYL AMINE COMPOUNDS | ELAN PHARMACEUTICALS, INC. (US) | 2002-11-28 | — | — | WO | disclosed |