Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 3/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17896146 | 0.99 | PDE5A (0.42) | PDE5ACYP1A1CYP1A2CYP1B1KDM4E | |
| SCHEMBL17895781 | 0.80 | RPS6KA2 (0.35) | KDM4ESMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL17896059 | 0.79 | ALDH1A1 (0.36) | PDE5ACYP1A1CYP1A2CYP1B1KDM4E | |
| Hydrochloric Acid SCHEMBL17895933 | 0.78 | ALDH1A1 (0.35) | PDE5ACYP1A1CYP1A2CYP1B1KDM4E | |
| SCHEMBL17895916 | 0.78 | LMNA (0.32) | KDM4EALDH1A1POLBLMNATSHR | |
| Hydrochloric Acid SCHEMBL17896058 | 0.77 | LMNA (0.32) | ALDH1A1POLBLMNA | |
| SCHEMBL17896007 | 0.74 | LMNA (0.37) | KDM4ESMN1; SMN2RAB9AALDH1A1POLB | |
| SCHEMBL17896150 | 0.74 | LMNA (0.30) | LMNA | |
| SCHEMBL17895831 | 0.74 | LMNA (0.36) | KDM4ESMN1; SMN2RAB9AALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL17896042 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016109706-A1 | FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-07-07 | — | — | WO | claimed |
| WO-2016109706-A1 | FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-07-07 | — | — | WO | disclosed |