Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | TACR1 | P25103 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CCR6 | P51684 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5648624 | 0.77 | TAAR1 (0.45) | TAAR1SMN1; SMN2KMT2ACHRNB2CHRNA7 | |
| SCHEMBL5648622 | 0.77 | TAAR1 (0.45) | TAAR1SMN1; SMN2KMT2ACHRNB2CHRNA7 | |
| SCHEMBL8886238 | 0.76 | TAAR1 (0.42) | L3MBTL1TAAR1SMN1; SMN2KMT2AHPGD | |
| SCHEMBL2859000 | 0.76 | HTT (0.44) | HTTL3MBTL1ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL20816379 | 0.75 | HTT (0.57) | HTTL3MBTL1ALDH1A1SMN1; SMN2KMT2A | |
| Hydrochloric Acid SCHEMBL28829510 | 0.75 | HTT (0.43) | HTTL3MBTL1ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL25241870 | 0.72 | LMNA (0.43) | ALDH1A1KMT2ATSHRLMNA | |
| SCHEMBL28475034 | 0.71 | CYP1A2 (0.41) | HTTTAAR1ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL5314842 | 0.71 | L3MBTL1 (0.50) | L3MBTL1TAAR1CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL5334794 | 0.71 | L3MBTL1 (0.43) | L3MBTL1TAAR1ALDH1A1KMT2ANPSR1 |
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-2751119-A1 | FUSED BICYCLIC DIAMINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS | Bristol-Myers Squibb Company (US) | 2014-07-09 | — | — | EP | disclosed |
| WO-2013033061-A1 | FUSED BICYCLIC DIAMINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-03-07 | — | — | WO | disclosed |