Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | PNMT | P11086 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL258606 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL22230526 | 0.90 | TSHR (0.46) | TSHRPNMTCYP1A2CYP2A6LMNA | |
| SCHEMBL29126143 | 0.90 | TSHR (0.46) | TSHRPNMTCYP1A2CYP2A6LMNA | |
| SCHEMBL4254296 | 0.90 | TSHR (0.46) | TSHRPNMTCYP1A2CYP2A6LMNA | |
| SCHEMBL29152755 | 0.90 | TSHR (0.46) | TSHRPNMTCYP1A2CYP2A6LMNA | |
| SCHEMBL10489573 | 0.72 | TSHR (0.55) | TSHRPNMTCYP1A2CYP2A6LMNA | |
| SCHEMBL3991309 | 0.71 | TSHR (0.61) | TSHRPNMTCYP1A2CYP2A6LMNA | |
| SCHEMBL23239 | 0.71 | — | — | |
| SCHEMBL6675833 | 0.69 | CYP3A4 (0.48) | TSHRPNMTCYP1A2CYP2A6LMNA | |
| SCHEMBL970761 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8143429-B2 | Process for producing organic transition metal complex compound, metathesis catalyst produced by using the same, ring-opening metathesis polymer obtainable with the metathesis catalyst, and process for producing the polymer | MITSUI CHEMICALS, INC. (JP) | 2012-03-27 | — | — | US | disclosed |