Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL7423819 | 0.92 | ESR1 (0.48) | KDM4ESMN1; SMN2BCHEACHEALDH1A1 | |
| SCHEMBL6171651 | 0.86 | EGFR (0.42) | KDM4EMAPTSMN1; SMN2LMNAHTT | |
| SCHEMBL7775991 | 0.80 | ESR1 (0.55) | CNR1ESR1ESR2CNR2 | |
| SCHEMBL6599641 | 0.80 | ESR1 (0.41) | TP53KDM4EMAPTSMN1; SMN2LMNA | |
| SCHEMBL7768296 | 0.79 | ESR1 (0.71) | ESR1ESR2 | |
| SCHEMBL6171046 | 0.78 | CD274 (0.44) | KDM4ETDP1ALDH1A1ESR1ESR2 | |
| SCHEMBL6172000 | 0.76 | ESR1 (0.61) | TP53MAPTLMNAALOX15TDP1 | |
| SCHEMBL6172361 | 0.75 | HTR6 (0.41) | CNR1ESR1ESR2CNR2 | |
| SCHEMBL221039 | 0.74 | KCNJ1 (0.54) | KDM4EMAPTSMN1; SMN2LMNAMAPK1 | |
| SCHEMBL1012433 | 0.74 | L3MBTL1 (0.60) | TP53KDM4EMAPTSMN1; SMN2LMNA |
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-6265575-B1 | THROMBIN INHIBITORS | ELI LILLY AND COMPANY | 2001-07-24 | — | — | US | disclosed |
| US-6251921-B1 | ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL | ELI LILLY AND COMPANY | 2001-06-26 | — | — | US | disclosed |