Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.62 |
| ▸ | HEXA | P06865 | 6/20 | 0.62 |
| ▸ | HEXB | P07686 | 6/20 | 0.62 |
| ▸ | OGA | O60502 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2539263 | 0.84 | ALDH1A1 (0.63) | CYP1B1HEXAHEXBOGAALDH1A1 | |
| SCHEMBL7326626 | 0.82 | HEXA (0.68) | CYP1B1HEXAHEXBOGAALDH1A1 | |
| SCHEMBL236658 | 0.82 | CASP3 (0.58) | ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL29529168 | 0.82 | CASP3 (0.58) | ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL15485550 | 0.81 | CYP1B1 (0.57) | CYP1B1HEXAHEXBOGAALDH1A1 | |
| SCHEMBL11801136 | 0.81 | HEXA (0.58) | CYP1B1HEXAHEXBOGAALDH1A1 | |
| Water SCHEMBL10669146 | 0.80 | CASP3 (0.56) | ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL10262751 | 0.80 | CYP1B1 (0.71) | CYP1B1HEXAHEXBOGAALDH1A1 | |
| SCHEMBL7324978 | 0.80 | HEXA (0.67) | CYP1B1HEXAHEXBOGAALDH1A1 | |
| SCHEMBL10795642 | 0.77 | CYP1B1 (0.67) | CYP1B1HEXAHEXBOGAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0612324-A1 | PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 1994-08-31 | — | — | EP | disclosed |
| WO-1993009136-A1 | PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 1993-05-13 | — | — | WO | disclosed |