Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | DTYMK | P23919 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10422388 | 0.85 | TSHR (0.50) | TSHRTDP1L3MBTL1HSD17B10ALDH1A1 | |
| SCHEMBL3892796 | 0.81 | TDP1 (0.50) | TSHRTDP1L3MBTL1HSD17B10ALDH1A1 | |
| SCHEMBL28256429 | 0.80 | HPSE (0.64) | TSHRTDP1HPSEALDH1A1KDM4E | |
| SCHEMBL28054674 | 0.80 | ALDH1A1 (0.46) | TSHRTDP1L3MBTL1ALDH1A1KDM4E | |
| SCHEMBL28054740 | 0.80 | KMT2A (0.53) | TSHRTDP1L3MBTL1HPSEALDH1A1 | |
| SCHEMBL28256503 | 0.78 | HTT (0.49) | TSHRTDP1HPSEALDH1A1KDM4E | |
| SCHEMBL29596381 | 0.78 | HTT (0.49) | TSHRTDP1HPSEALDH1A1KDM4E | |
| SCHEMBL28054738 | 0.77 | HPSE (0.50) | TDP1HPSEALDH1A1KDM4EHPGD | |
| SCHEMBL28454415 | 0.76 | PKM (0.58) | TSHRTDP1L3MBTL1ALDH1A1KDM4E | |
| SCHEMBL28897949 | 0.76 | HPSE (0.47) | TSHRTDP1HPSEALDH1A1KDM4E |
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-105693634-B | Compound and application thereof | 清华大学 | 2018-12-11 | — | — | CN | disclosed |
| CN-105693634-A | Compound and application thereof | 清华大学 | 2016-06-22 | — | — | CN | disclosed |