Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.42 |
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23312282 | 0.87 | ALDH1A1 (0.50) | KDM4EALDH1A1HTTTDP1HPGD | |
| SCHEMBL8896665 | 0.87 | TSHR (0.55) | KDM4EALDH1A1HTTTDP1HPGD | |
| SCHEMBL22550294 | 0.87 | CALM1 (0.55) | KDM4EALDH1A1HTTTDP1HPGD | |
| SCHEMBL9816693 | 0.85 | SRD5A2 (0.58) | KDM4EALDH1A1HTTTDP1HPGD | |
| SCHEMBL6978760 | 0.81 | CHRM2 (0.53) | MAOBLTA4H | |
| Ethylene Glycol SCHEMBL28545403 | 0.80 | TSHR (0.51) | KDM4EALDH1A1HTTTDP1HPGD | |
| SCHEMBL27630414 | 0.79 | LTA4H (0.57) | KDM4EALDH1A1HTTSMN1; SMN2SRD5A2 | |
| SCHEMBL79755 | 0.79 | CALM1 (0.67) | KDM4EALDH1A1IDH1TSHRLTA4H | |
| SCHEMBL921840 | 0.77 | ALDH1A1 (0.45) | KDM4EALDH1A1HTTTDP1HPGD | |
| SCHEMBL8939739 | 0.77 | KDM4E (0.42) | KDM4EALDH1A1HTTTDP1HPGD |
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-5516797-A | SUPPRESSING GRAFT REJECTION | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1996-05-14 | — | — | US | disclosed |
| US-5330993-A | Immunosuppressive compounds | VERTEX PHARMACEUTICALS, INC. (US) | 1994-07-19 | — | — | US | disclosed |