Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.45 |
| ▸ | F2 | P00734 | 2/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5889497 | 0.85 | SENP1 (0.47) | SENP1KMT2ATSHRALDH1A1NPC1 | |
| SCHEMBL15235763 | 0.83 | LMNA (0.41) | CYP3A4LMNACYP1A2MAOAF2 | |
| SCHEMBL27682095 | 0.80 | PARP10 (0.53) | CYP3A4SENP1F2PRSS1PRSS2 | |
| SCHEMBL23235066 | 0.80 | RAB9A (0.49) | CYP1A2SENP1PKMKMT2ANPC1 | |
| SCHEMBL10021501 | 0.78 | PRSS1 (0.65) | CYP3A4LMNACYP1A2MAOAF2 | |
| SCHEMBL22310501 | 0.78 | PRSS1 (0.65) | CYP3A4LMNACYP1A2MAOAF2 | |
| SCHEMBL8712521 | 0.78 | CA1 (0.55) | PRSS1KMT2ATSHRALDH1A1NPC1 | |
| SCHEMBL15712039 | 0.78 | TDP1 (0.55) | LMNACYP1A2PRSS1PKMKMT2A | |
| SCHEMBL3143505 | 0.78 | PRSS1 (0.65) | CYP3A4LMNACYP1A2MAOAF2 | |
| SCHEMBL10126445 | 0.78 | SENP1 (0.59) | LMNACYP1A2SENP1PKMKMT2A |
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-2012031298-A2 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |