Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 2/20 | 0.45 |
| ▸ | MMP12 | P39900 | 2/20 | 0.45 |
| ▸ | MMP13 | P45452 | 2/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.40 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.40 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.40 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7269197 | 0.76 | MMP1 (0.46) | MMP2MMP12MMP13MMP1KMT2A | |
| SCHEMBL7269182 | 0.75 | NPC1 (0.57) | KMT2ANPC1RAB9ATDP1TACR1 | |
| SCHEMBL8539168 | 0.74 | PSMB1 (0.50) | MMP2MMP12MMP13MMP1NPC1 | |
| Hydrochloric Acid SCHEMBL7269192 | 0.70 | PSMB1 (0.44) | MMP2MMP12MMP13MMP1PSMB1 | |
| SCHEMBL14073880 | 0.69 | NPC1 (0.68) | KMT2ANPC1RAB9ATDP1TACR1 | |
| Hydrochloric Acid SCHEMBL8538870 | 0.69 | PSMB1 (0.46) | MMP2MMP12MMP13MMP1NPC1 | |
| SCHEMBL7279014 | 0.69 | PSEN1 (0.53) | — | |
| SCHEMBL6348066 | 0.67 | TDP1 (0.55) | MMP2MMP13MMP1KMT2ATDP1 | |
| SCHEMBL7274920 | 0.65 | CPA1 (0.60) | KMT2ANPC1RAB9ATDP1TACR1 | |
| SCHEMBL19573455 | 0.65 | NPC1 (0.74) | KMT2ANPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0402646-A1 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1990-12-19 | — | — | EP | disclosed |