Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
| ▸ | RXRB | P28702 | 1/20 | 0.47 |
| ▸ | RXRG | P48443 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL11314785 | 0.97 | ALDH1A1 (0.53) | ALDH1A1RXRARXRBRXRGPTGS2 | |
| Methane SCHEMBL27572717 | 0.92 | PTGS2 (0.56) | ALDH1A1RXRARXRBRXRGPTGS2 | |
| Isopropylbenzene SCHEMBL28501561 | 0.92 | RXRA (0.48) | ALDH1A1RXRARXRBRXRGPTGS2 | |
| Isopropylbenzene SCHEMBL27280341 | 0.91 | TAAR1 (0.48) | ALDH1A1TAAR1ADRA2AADRA2CCYP2D6 | |
| SCHEMBL40528 | 0.89 | PTGS2 (0.58) | ALDH1A1RXRARXRBRXRGPTGS2 | |
| SCHEMBL20833031 | 0.89 | PTGS2 (0.58) | ALDH1A1RXRARXRBRXRGPTGS2 | |
| Isopropylbenzene SCHEMBL6568 | 0.88 | — | — | |
| Isopropylbenzene SCHEMBL8431863 | 0.88 | TAAR1 (0.50) | ALDH1A1TAAR1ADRA2AADRA2CCYP2D6 | |
| Isopropylbenzene SCHEMBL11254813 | 0.88 | — | — | |
| Isopropylbenzene SCHEMBL87809 | 0.88 | TAAR1 (0.50) | ALDH1A1TAAR1ADRA2AADRA2CCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5523443-A | PROTECTIVE COATINGS | CASCHEM, INC. (US) | 1996-06-04 | — | — | US | disclosed |
| WO-1994009013-A1 | DUAL CURING CONFORMAL COATINGS | CASCHEM, INC. (US) | 1994-04-28 | — | — | WO | disclosed |