Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 3/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.38 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11681968 | 0.87 | KMT2A (0.44) | HPGDTDP1MEN1KMT2APARP1 | |
| SCHEMBL27775977 | 0.85 | HDAC1 (0.43) | MTORHDAC1HDAC2GRM5CTSL | |
| SCHEMBL9646041 | 0.81 | HPGD (0.57) | KAT6AHPGDTDP1MEN1KMT2A | |
| SCHEMBL27884582 | 0.80 | PARP1 (0.55) | MEN1KMT2APARP1 | |
| SCHEMBL7377543 | 0.79 | PARP1 (0.55) | MTORHPGDMEN1KMT2APARP1 | |
| SCHEMBL2086375 | 0.78 | ERN1 (0.46) | MTORHDAC1HDAC2GRM5CTSL | |
| SCHEMBL17184652 | 0.78 | TPMT (0.45) | HPGD | |
| SCHEMBL5452316 | 0.77 | CES2 (0.46) | HPGDTDP1PARP1HTTCYP3A4 | |
| SCHEMBL27998497 | 0.77 | PARP1 (0.60) | MEN1KMT2APARP1 | |
| SCHEMBL172793 | 0.75 | ALDH1A1 (0.50) | MTORHDAC1HDAC2GRM5TP53BP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6037367-A | Substituted-pent-4-ynoic acids | SMITHKLINE BEECHAM CORPORATION (US) | 2000-03-14 | — | — | US | disclosed |
| EP-0827495-A4 | SUBSTITUTED-PENT-4-YNOIC ACIDS | SMITHKLINE BEECHAM CORP (US) | 1998-11-04 | — | — | EP | disclosed |
| EP-0827495-A1 | SUBSTITUTED-PENT-4-YNOIC ACIDS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-03-11 | — | — | EP | disclosed |
| WO-1997003945-A1 | SUBSTITUTED-PENT-4-YNOIC ACIDS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-02-06 | — | — | WO | disclosed |