Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27557539 | 0.85 | ALDH1A1 (0.50) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL2734881 | 0.80 | ALDH1A1 (0.52) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL2734865 | 0.80 | ALDH1A1 (0.52) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL7998797 | 0.80 | ATM (0.59) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL14218146 | 0.79 | ATM (0.48) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL11252949 | 0.79 | ATM (0.48) | ATMALDH1A1TSHRHPGDHCAR2 | |
| Hydrochloric Acid SCHEMBL216129 | 0.79 | ALDH1A1 (0.50) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL6558974 | 0.79 | ALDH1A1 (0.50) | ATMALDH1A1TSHRHPGDHCAR2 | |
| Hydrochloric Acid SCHEMBL3363507 | 0.79 | ALDH1A1 (0.50) | ATMALDH1A1TSHRHPGDHCAR2 | |
| SCHEMBL855003 | 0.79 | ALDH1A1 (0.50) | ATMALDH1A1TSHRHPGDHCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1220840-A2 | BICYCLIC AND TRICYCLIC AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Pharma Company (US) | 2002-07-10 | — | — | EP | disclosed |
| WO-2001029000-A2 | BICYCLIC AND TRICYCLIC AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | DU PONT PHARMACEUTICALS COMPANY (US) | 2001-04-26 | — | — | WO | disclosed |