Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA1 | P02708 | 1/20 | 0.53 |
| ▸ | CHRNG | P07510 | 1/20 | 0.53 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.53 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.53 |
| ▸ | CHRND | Q07001 | 1/20 | 0.53 |
| ▸ | NOS3 | P29474 | 2/20 | 0.47 |
| ▸ | NOS1 | P29475 | 2/20 | 0.47 |
| ▸ | PRKCI | P41743 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL15180320 | 0.80 | CHRNA1 (0.51) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL13563804 | 0.80 | CHRNA1 (0.51) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL18682217 | 0.79 | TSHR (0.50) | MAPTHPGDL3MBTL1KMT2AALDH1A1 | |
| SCHEMBL18670700 | 0.79 | TSHR (0.50) | MAPTHPGDL3MBTL1KMT2AALDH1A1 | |
| SCHEMBL18682115 | 0.77 | CA1 (0.55) | CHRNB2CHRNA4MAPTRAB9AHPGD | |
| SCHEMBL11115696 | 0.77 | CHRNA1 (0.53) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL10170777 | 0.77 | CHRNA1 (0.53) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL15180321 | 0.75 | CHRNA1 (0.47) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL13563809 | 0.75 | CHRNA1 (0.47) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL12620636 | 0.75 | CHRNA1 (0.51) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017053982-A1 | TRIPTYCENE DERIVATIVES FOR NUCLEIC ACID JUNCTION STABILIZATION | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2017-03-30 | — | — | WO | disclosed |