Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | TPMT | P51580 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20148901 | 0.80 | MAPT (0.38) | CYP1A2MAPTTDP1CA12CA1 | |
| SCHEMBL11649084 | 0.78 | TSHR (0.46) | TSHRMAPTTDP1TUBB4ATUBB | |
| SCHEMBL3624482 | 0.75 | NFE2L2 (0.53) | TSHRCYP1A2MAPTCA12CA1 | |
| SCHEMBL28627336 | 0.73 | KIF11 (0.33) | KMT2AHTTLMNA | |
| SCHEMBL31345640 | 0.73 | CES2 (0.36) | MAPTKMT2APOLBHTTLMNA | |
| SCHEMBL27947755 | 0.72 | PTGDR2 (0.40) | CYP2C19TDP1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL3230087 | 0.72 | ALDH1A1 (0.37) | CYP1A2KMT2APOLBSMN1; SMN2ALDH1A1 | |
| SCHEMBL2955217 | 0.71 | CA2 (0.43) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28474445 | 0.71 | LMNA (0.38) | CYP3A4CA12CA1CA2CA4 | |
| SCHEMBL29177417 | 0.70 | MEN1 (0.50) | MAPTKMT2AKDM4EALDH1A1LMNA |
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-2011136385-A1 | BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-11-03 | — | — | WO | disclosed |