Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Aniline SCHEMBL28215920 | 0.95 | TSHR (0.65) | TSHRKDM4EADRA2AADRA2CLMNA | |
| Aniline SCHEMBL11592246 | 0.95 | TSHR (0.65) | TSHRKDM4EADRA2AADRA2CLMNA | |
| Aniline SCHEMBL11023750 | 0.92 | TSHR (0.61) | TSHRKDM4EADRA2AADRA2CLMNA | |
| Aniline SCHEMBL27516065 | 0.86 | TSHR (0.69) | TSHRKDM4EHIF1AALDH1A1CYP3A4 | |
| Aniline SCHEMBL6154453 | 0.83 | TSHR (0.73) | TSHRKDM4EALDH1A1CYP3A4TDP1 | |
| Aniline SCHEMBL28264601 | 0.83 | TSHR (0.85) | TSHRKDM4EALDH1A1CYP3A4TDP1 | |
| Aniline SCHEMBL28867529 | 0.83 | TSHR (0.85) | TSHRKDM4EALDH1A1CYP3A4TDP1 | |
| Aniline SCHEMBL27517054 | 0.83 | — | — | |
| Aniline SCHEMBL9183539 | 0.80 | TP53 (0.52) | TSHRKDM4EADRA2AADRA2CLMNA | |
| Aniline SCHEMBL11017210 | 0.80 | TSHR (0.52) | TSHRKDM4EADRA2AADRA2CLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-1267282-A | Process for preparing aminoarylacetylenes | CATALYTICA PHARMACEUTICALS INC (US) | 2000-09-20 | — | — | CN | claimed |
| CN-1267282-A | Process for preparing aminoarylacetylenes | CATALYTICA PHARMACEUTICALS INC (US) | 2000-09-20 | — | — | CN | disclosed |